11573/1759405 - 2026 -
Locally concentrated electrolytes for aluminum-sulfur metal batteries: a molecular dynamics study Russo, Stefano; Azzali, Alessandro; Bodo, Enrico - 01a Articolo in rivista
paper: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. 1-12 - issn: 0167-7322 - wos: (0) - scopus: 2-s2.0-105028955545 (0)
11573/1756465 - 2026 -
Polypropylene nanoplastics as PFAS carriers: A computational study of the adsorption mechanism Migliorati, Valentina; Simonetti, Federica; Bertagnin, Luca; Bodo, Enrico - 01a Articolo in rivista
paper: ENVIRONMENTAL POLLUTION (United Kingdom: Elsevier Science Limited
Barking: Elsevier Applied Science Publishers, 1987-) pp. 1-9 - issn: 0269-7491 - wos: WOS:001630685100002 (7) - scopus: 2-s2.0-105022704009 (7)
11573/1756357 - 2026 -
Deciphering the role of LiBr as a redox mediator in Li–O2 aprotic batteries Petrongari, Angelica; Desiderio, Lucrezia; Pierini, Adriano; Bodo, Enrico; Giustini, Mauro; Brutti, Sergio - 01a Articolo in rivista
paper: JOURNAL OF MATERIALS CHEMISTRY. A (Cambridge : RSC Publishing, 2012-) pp. 1-10 - issn: 2050-7488 - wos: WOS:001620767300001 (1) - scopus: 2-s2.0-105022591529 (1)
11573/1760029 - 2026 -
Investigating the Absorption Properties of Pure and Nitrogen-Doped Carbon Clusters as Models for the Core of Carbon Nanodots D'ambrosio, Francesca; Frustaci, Alice; Azzali, Alessandro; Bodo, Enrico - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 1304-1316 - issn: 1089-5639 - wos: WOS:001683991800001 (3) - scopus: 2-s2.0-105030111535 (2)
11573/1757458 - 2026 -
On the Origin of the Red-Shifted Flavin Absorption Spectra in Fatty Acid Photodecarboxylase Farina, Matteo; Dell'orletta, Gianluca; Bodo, Enrico; Daidone, Isabella - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 68-78 - issn: 1520-6106 - wos: WOS:001642284400001 (1) - scopus: 2-s2.0-105026749625 (1)
11573/1759404 - 2026 -
Vibrational Spectra of R and S Methyl Para Tolyl Sulfoxide and Their Racemic Mixture in the Solid–Liquid State and in Water Solution Rondino, Flaminia; Falconieri, Mauro; Gagliardi, Serena; Satta, Mauro; Piccirillo, Susanna; Bodo, Enrico - 01a Articolo in rivista
paper: SYMMETRY (Basel : Molecular Diversity Preservation International) pp. 1-13 - issn: 2073-8994 - wos: WOS:001671324800001 (0) - scopus: 2-s2.0-105028487458 (0)
11573/1766713 - 2026 -
Rational Formulation of Ether‐Lactone Electrolytes for Safe and Sustainable Ni‐Rich Lithium‐Ion Batteries Gómez‐Urbano, Juan Luis; Binder, Markus; Dwiputra, Endy Nugroho; Diemant, Thomas; Bresser, Dominic; Pierini, Adriano; Cioffi, Andrea; Bodo, Enrico; Brutti, Sergio; Koželj, Matjaž; Gouveia, Tom; Bremond, Emma; Ladam, Alix; Fantini, Sébastien; Sananes‐Israel, Susan; Landa‐Medrano, Imanol; De Meatza, Iratxe; Balducci, Andrea - 01a Articolo in rivista
paper: ANGEWANDTE CHEMIE. INTERNATIONAL EDITION (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 1-11 - issn: 1433-7851 - wos: WOS:001747580200001 (0) - scopus: 2-s2.0-105036502149 (0)
11573/1769182 - 2026 -
A machine learning force field for lithium thiophosphate solid electrolytes Azzali, Alessandro; Bertani, Marco; D'ambrosio, Francesca; Bodo, Enrico - 01a Articolo in rivista
paper: ELECTROCHIMICA ACTA (Elsevier Science Limited:Oxford Fulfillment Center, PO Box 800, Kidlington Oxford OX5 1DX United Kingdom:011 44 1865 843000, 011 44 1865 843699, EMAIL: asianfo@elsevier.com, tcb@elsevier.co.UK, INTERNET: http://www.elsevier.com, http://www.elsevier.com/locate/shpsa/, Fax: 011 44 1865 843010) pp. 1-10 - issn: 0013-4686 - wos: WOS:001788856800002 (0) - scopus: 2-s2.0-105040780200 (0)
11573/1743307 - 2025 -
A Bottom-up Computational Study of Doped Amorphous Carbon Clusters as Precursors of Carbon Nanodots D'ambrosio, Francesca; Frustaci, Alice; Bodo, Enrico - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 6825-6836 - issn: 1089-5639 - wos: WOS:001532230400001 (6) - scopus: 2-s2.0-105012780045 (6)
11573/1727220 - 2025 -
Modelling Lithium‐ion Transport Properties in Sulfoxides and Sulfones with Polarizable Molecular Dynamics and NMR Spectroscopy Piacentini, Vanessa; Simari, Cataldo; Mangiacapre, Emanuela; Nicotera, Isabella; Brutti, Sergio; Pierini, Adriano; Bodo, Enrico - 01a Articolo in rivista
paper: CHEMPLUSCHEM (Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim) pp. 1-12 - issn: 2192-6506 - wos: WOS:001365809300001 (2) - scopus: 2-s2.0-85210564303 (1)
11573/1741684 - 2025 -
A Perspective on Computer Simulation of Liquid Electrolytes for Energy Storage Pierini, Adriano; Bodo, Enrico - 01a Articolo in rivista
paper: ACS ELECTROCHEMISTRY (Washington D.C.: American Chemical Society, 2025-) pp. 1231-1246 - issn: 2997-0571 - wos: (0) - scopus: (0)
11573/1730213 - 2025 -
Aprotic electrolytes beyond organic carbonates: transport properties of LiTFSI solutions in sulphur based solvents Piacentini, Vanessa; Simari, Cataldo; Mangiacapre, Emanuela; Pierini, Adriano; Gentile, Antonio; Marchionna, Stefano; Nicotera, Isabella; Brutti, Sergio; Bodo, Enrico - 01a Articolo in rivista
paper: CHEMSUSCHEM (WEINHEIM, GERMANY: WILEY-V C H VERLAG GMBH) pp. 1-14 - issn: 1864-5631 - wos: WOS:001397380700001 (4) - scopus: 2-s2.0-85215534789 (5)
11573/1733412 - 2025 -
Amino acid‐mediated enantioselective synthesis of a bicyclic ketocarbaldehyde. Theoretical and experimental insights into a key Intermediate for some polycyclic diterpene synthesis Leonelli, Francesca; Vetica, Fabrizio; Bodo, Enrico; Russo, Stefano; Michelini, Lorenzo; Sturabotti, Elisa; Mazzoccanti, Giulia; Ciogli, Alessia; Demitri, Nicola; Lamba, Doriano; Masi, Annalisa; Migneco, Luisa Maria; Marini Bettolo, Rinaldo - 01a Articolo in rivista
paper: EUROPEAN JOURNAL OF ORGANIC CHEMISTRY (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. - - issn: 1434-193X - wos: WOS:001419104900001 (0) - scopus: 2-s2.0-86000436434 (0)
11573/1730709 - 2025 -
Simulations of γ-Valerolactone Solvents and Electrolytes for Lithium Batteries Using Polarizable Molecular Dynamics Pierini, Adriano; Migliorati, Valentina; Gómez-Urbano, Juan Luis; Balducci, Andrea; Brutti, Sergio; Bodo, Enrico - 01a Articolo in rivista
paper: MOLECULES (Basel: MDPI
Berlin: Springer, 1996-) pp. 1-14 - issn: 1420-3049 - wos: WOS:001404318000001 (4) - scopus: 2-s2.0-85216105173 (4)
11573/1720147 - 2024 -
Mechanisms in the Synthesis of S-Alcohols with 1,4-NADH Biomimetic Co-factor N-Benzyl-1,4-dihydronicotinamide using Horse Liver Alcohol Dehydrogenase: A Hybrid Computational Study Farina, Matteo; Capone, Matteo; Bodo, Enrico; Fish, Richard H; Aschi, Massiliano; Marrone, Alessandro; Daidone, Isabella - 01a Articolo in rivista
paper: CHEMBIOCHEM (Weinheim: Wiley-VCH-Verl..) pp. 1-13 - issn: 1439-7633 - wos: WOS:001354413000001 (0) - scopus: 2-s2.0-85208203314 (0)
11573/1723573 - 2024 -
Applying Computational Spectroscopy Methods to Raman Spectra of Dicationic, Imidazolium-Based, Ionic Liquids Farina, Matteo; Rondino, Flaminia; Lapi, Andrea; Falconieri, Mauro; Gagliardi, Serena; Daidone, Isabella; Fraschetti, Caterina; Bodo, Enrico; Filippi, Antonello - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 10650-10660 - issn: 1520-6106 - wos: WOS:001338437400001 (1) - scopus: 2-s2.0-85207399875 (1)
11573/1711541 - 2024 -
Understanding the Role of Imide‐Based Salts and Borate‐Based Additives for Safe and High‐Performance Glyoxal‐Based Electrolytes in Ni‐Rich NMC811 Cathodes for Li‐Ion Batteries Klein, Michel; Binder, Markus; Koželj, Matjaž; Perini, Adriano; Gouveia, Tom; Diemant, Thomas; Schür, Annika; Brutti, Sergio; Bodo, Enrico; Bresser, Dominic; Gómez‐Urbano, Juan Luis; Balducci, Andrea - 01a Articolo in rivista
paper: SMALL (Weinheim : Wiley-VCH-Verl.) pp. 1-12 - issn: 1613-6810 - wos: WOS:001243048700001 (6) - scopus: 2-s2.0-85195455839 (5)
11573/1719717 - 2024 -
Lithium‐Ion Transport Properties in DMSO and TEGDME: Exploring the Influence of Solvation through Molecular Dynamics and Experiments Piacentini, Vanessa; Simari, Cataldo; Gentile, Antonio; Marchionna, Stefano; Nicotera, Isabella; Brutti, Sergio; Bodo, Enrico - 01a Articolo in rivista
paper: CHEMSUSCHEM (WEINHEIM, GERMANY: WILEY-V C H VERLAG GMBH) pp. 1-10 - issn: 1864-5631 - wos: WOS:001284780100001 (9) - scopus: 2-s2.0-85200519687 (8)
11573/1719718 - 2024 -
A Polarizable Forcefields for Glyoxal Acetals as Electrolyte Components for Lithium‐Ion Batteries Pierini, Adriano; Piacentini, Vanessa; Gómez‐Urbano, Juan Luis; Balducci, Andrea; Brutti, Sergio; Bodo, Enrico - 01a Articolo in rivista
paper: CHEMISTRYOPEN (Weinheim : Wiley-VCH-Verl.) pp. 1-9 - issn: 2191-1363 - wos: WOS:001281220500001 (4) - scopus: 2-s2.0-85200032950 (4)
11573/1707249 - 2024 -
Solvation of Model Biomolecules in Choline-Aminoate Ionic Liquids: A Computational Simulation Using Polarizable Force Fields Russo, Stefano; Bodo, Enrico - 01a Articolo in rivista
paper: MOLECULES (Basel: MDPI
Berlin: Springer, 1996-) pp. 1-17 - issn: 1420-3049 - wos: WOS:001201222600001 (2) - scopus: 2-s2.0-85190286135 (1)
11573/1698957 - 2024 -
Oxime metathesis: tuneable and versatile chemistry for dynamic networks Sardon, Haritz; Pettazzoni, Luca; Ximenis, Marta; Leonelli, Francesca; Vozzolo, Giulia; Bodo, Enrico; Elizalde, Fermin - 01a Articolo in rivista
paper: CHEMICAL SCIENCE (Cambridge : Royal Society of Chemistry, 2010-) pp. 2359-2364 - issn: 2041-6520 - wos: WOS:001139117200001 (14) - scopus: 2-s2.0-85182382195 (12)
11573/1712150 - 2024 -
Superionicity by design: High Proton Conductivity in a Fluorine-free Protic Ionic Liquid Schütz, Hanno Maria; Nejrotti, Stefano; Adenusi, Henry; Mariani, Alessandro; Bodo, Enrico; Bonomo, Matteo; Innocenti, Alessandro; Barolo, Claudia; Gao, Xinpei; Passerini, Stefano - 01a Articolo in rivista
paper: JOURNAL OF MATERIALS CHEMISTRY. A (Cambridge : RSC Publishing, 2012-) pp. 1-11 - issn: 2050-7488 - wos: WOS:001254861200001 (1) - scopus: 2-s2.0-85197879437 (1)
11573/1675917 - 2023 -
About the Formation of NH2OH+ from Gas Phase Reactions under Astrochemical Conditions Dilena, Gabriele; Pistillo, Simone; Bodo, Enrico - 01a Articolo in rivista
paper: MOLECULES (Basel: MDPI
Berlin: Springer, 1996-) pp. 1-13 - issn: 1420-3049 - wos: WOS:000969928700001 (2) - scopus: 2-s2.0-85152330103 (2)
11573/1696024 - 2023 -
Insights into the LiI Redox Mediation in Aprotic Li–O2 Batteries: Solvation Effects and Singlet Oxygen Evolution Petrongari, Angelica; Piacentini, Vanessa; Pierini, Adriano; Fattibene, Paola; De Angelis, Cinzia; Bodo, Enrico; Brutti, Sergio - 01a Articolo in rivista
paper: ACS APPLIED MATERIALS & INTERFACES (Washington, DC : American Chemical Society) pp. 59348-59357 - issn: 1944-8244 - wos: WOS:001133434300001 (8) - scopus: 2-s2.0-85181037133 (8)
11573/1690920 - 2023 -
A Computational Study on Halogen/Halide Redox Mediators and Their Role in 1O2 Release in Aprotic Li–O2 Batteries Pierini, Adriano; Petrongari, Angelica; Piacentini, Vanessa; Brutti, Sergio; Bodo, Enrico - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 9229-9235 - issn: 1089-5639 - wos: WOS:001096718300001 (3) - scopus: 2-s2.0-85177872375 (3)
11573/1662000 - 2023 -
Aluminium catalysed oligomerisation in cement-forming silicate systems Salha, Mohammed S.; Yada, Rickey Y.; Farrar, David H.; Chass, Gregory A.; Tian, Kun V.; Bodo, Enrico - 01a Articolo in rivista
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 455-461 - issn: 1463-9076 - wos: WOS:000894145900001 (11) - scopus: 2-s2.0-85144588869 (10)
11573/1680611 - 2023 -
Bioactivity of the cannabigerol cannabinoid and its analogues – the role of 3-dimensional conformation Salha, Mohammed; Adenusi, Henry; Dupuis, John H.; Bodo, Enrico; Botta, Bruno; Mckenzie, Iain; Yada, Rickey Y.; Farrar, David H.; Magolan, Jakob; Tian, Kun V.; Chass, Gregory A. - 01a Articolo in rivista
paper: ORGANIC & BIOMOLECULAR CHEMISTRY (Royal Society of Chemistry:Thomas Graham House, Science Park, Cambridge CB4 0WF United Kingdom:011 44 1223 432360, EMAIL: sales@rsc.org, INTERNET: http://www.rsc.org, http://www.chensoc.org, Fax: 011 44 1223 423429) pp. 4683-4693 - issn: 1477-0520 - wos: WOS:000993812300001 (10) - scopus: 2-s2.0-85161697542 (10)
11573/1600080 - 2022 -
Perspectives in the computational modeling of new generation, biocompatible ionic liquids Bodo, Enrico - 01g Articolo di rassegna (Review)
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 3-13 - issn: 1520-6106 - wos: WOS:000740444600001 (21) - scopus: 2-s2.0-85122793359 (22)
11573/1656147 - 2022 -
Unusually chemoselective photocyclization of 2-(hydroxyimino)aldehydes to cyclobutanol oximes. synthetic, stereochemical, and mechanistic aspects Di Sabato, Antonio; D’Acunzo, Francesca; Filippini, Dario; Vetica, Fabrizio; Brasiello, Antonio; Corinti, Davide; Bodo, Enrico; Michenzi, Cinzia; Panzetta, Edoardo; Gentili, Patrizia - 01a Articolo in rivista
paper: JOURNAL OF ORGANIC CHEMISTRY ([Washington, D.C: American Chemical Society) pp. 13803-13818 - issn: 0022-3263 - wos: WOS:000869762700001 (4) - scopus: 2-s2.0-85139927783 (5)
11573/1655346 - 2022 -
Anharmonic aspects in vibrational circular dichroism spectra from 900 to 9000 cm-1 for methyloxirane and methylthiirane Fusè, Marco; Longhi, Giovanna; Mazzeo, Giuseppe; Stranges, Stefano; Leonelli, Francesca; Aquila, Giorgia; Bodo, Enrico; Brunetti, Bruno; Bicchi, Carlo; Cagliero, Cecilia; Bloino, Julien; Abbate, Sergio - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 6719-6733 - issn: 1089-5639 - wos: WOS:000857477400001 (21) - scopus: 2-s2.0-85139155589 (20)
11573/1660787 - 2022 -
Final Products of One-Electron Oxidation of Cyclic Dipeptides Containing Methionine Investigated by IRMPD Spectroscopy: Does the Free Radical Choose the Final Compound? Jiang, Yining; Indrajith, Suvasthika; Perez Mellor, Ariel Francis; Bürgi, Thomas; Lecouvey, Marc; Clavaguéra, Carine; Bodo, Enrico; Houée-Levin, Chantal; Loire, Estelle; Berden, Giel; Oomens, Jos; Scuderi, Debora - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 10055-10068 - issn: 1520-6106 - wos: WOS:000890668500001 (2) - scopus: 2-s2.0-85143058338 (2)
11573/1571391 - 2022 -
Assessing the Propensity Toward Ionization in Nanosized Clusters of Protic Ionic Liquids by Ab-initio Methods Le Donne, Andrea; Russo, Stefano; Bodo, Enrico - 01a Articolo in rivista
paper: CHEMICAL PHYSICS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 1-5 - issn: 0301-0104 - wos: WOS:000711922600003 (3) - scopus: 2-s2.0-85115944742 (3)
11573/1610004 - 2022 -
Excited state dynamics of Zn–salophen complexes O’Keeffe, Patrick; Catone, Daniele; Turchini, Stefano; Paladini, Alessandra; Dalla Cort, Antonella; Bodo, Enrico; Piccirillo, Susanna - 01a Articolo in rivista
paper: PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES (Cambridge: Royal Society of Chemistry, 2002-) pp. 923-934 - issn: 1474-905X - wos: WOS:000749066400001 (5) - scopus: 2-s2.0-85123950596 (6)
11573/1639261 - 2022 -
A Computational Analysis of the Reaction of {SO}2 with Amino Acid Anions: Implications for Its Chemisorption in Biobased Ionic Liquids Piacentini, Vanessa; Le Donne, Andrea; Russo, Stefano; Bodo, Enrico - 01a Articolo in rivista
paper: MOLECULES (Basel: MDPI
Berlin: Springer, 1996-) pp. 1-11 - issn: 1420-3049 - wos: WOS:000809097700001 (2) - scopus: 2-s2.0-85131625860 (2)
11573/1652325 - 2022 -
A polarisable force field for bio-compatible ionic liquids based on amino acids anions Russo, Stefano; Bodo, Enrico - 01a Articolo in rivista
paper: MOLECULAR SIMULATION (Taylor & Francis Limited:Rankine Road, Basingstoke RG24 8PR United Kingdom:011 44 1256 813035, EMAIL: madeline.sims@tandf.co.uk, info@tandf.co.uk, INTERNET: http://www.tandf.co.uk, Fax: 011 44 1256 330245) pp. 1650-1659 - issn: 0892-7022 - wos: WOS:000843593500001 (6) - scopus: 2-s2.0-85136480425 (5)
11573/1542277 - 2021 -
Modelling biocompatible ionic liquids based on organic acids and amino acids: challenges for computational models and future perspectives Bodo, Enrico - 01a Articolo in rivista
paper: ORGANIC & BIOMOLECULAR CHEMISTRY (Royal Society of Chemistry:Thomas Graham House, Science Park, Cambridge CB4 0WF United Kingdom:011 44 1223 432360, EMAIL: sales@rsc.org, INTERNET: http://www.rsc.org, http://www.chensoc.org, Fax: 011 44 1223 423429) pp. 4002-4013 - issn: 1477-0520 - wos: WOS:000640671600001 (8) - scopus: 2-s2.0-85105767226 (8)
11573/1633449 - 2021 -
Welcome to Liquids: An Open Access Journal Bodo, Enrico - 01m Editorial/Introduzione in rivista
paper: LIQUIDS (Basel: MDPI AG, 2021-) pp. 75-76 - issn: 2673-8015 - wos: WOS:001487956700001 (0) - scopus: 2-s2.0-85214876730 (0)
11573/1514762 - 2021 -
Assessing the Structure of Protic Ionic Liquids Based on Triethylammonium and Organic Acid Anions Bodo, Enrico; Bonomo, Matteo; Mariani, Alessandro - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 2781-2792 - issn: 1520-6106 - wos: WOS:000631402000030 (25) - scopus: 2-s2.0-85103228544 (26)
11573/1615942 - 2021 -
Truffle farming and nanomaterials: a new technology for the optimization of the mycorrhization process and release of "helper" microorganisms Fratoddi, I.; Bodo, E.; Cerra, S.; Salamone, T. A.; Hajareh Haghighi, F.; Bovi, M.; Bonaconsa, M.; Kuzminsky, E.; Morales-Rodriguez, C.; Pagliarani, S.; Vannini, A. - 04f Poster
conference: XXVII Congresso Nazionale della Società Chimica Italiana (Virtual)
book: in book of abstract - ()
11573/1544935 - 2021 -
Hydrogen bonding in biocompatible ionic liquids: an ab-initio characterization of dimeric interactions Le Donne, Andrea; Adenusi, Henry; Porcelli, Francesco; Bodo, Enrico - 01a Articolo in rivista
paper: ELECTRONIC STRUCTURE ([Bristol]: IOP Publishing) pp. - - issn: 2516-1075 - wos: WOS:000706183300016 (3) - scopus: 2-s2.0-85108707239 (4)
Le Donne, Andrea; Bodo, Enrico - 01g Articolo di rassegna (Review)
paper: BIOPHYSICAL REVIEWS (Heidelberg ; Berlin : Springer) pp. 147-160 - issn: 1867-2450 - wos: WOS:001053783100011 (59) - scopus: 2-s2.0-85100180919 (68)
11573/1477943 - 2021 -
Chapter 1 - Disclosing the hierarchical structure of ionic liquid mixtures by multiscale computational methods Mariani, A.; Engelbrecht, L.; Le Donne, A.; Mocci, F.; Bodo, E.; Passerini, S. - 02a Capitolo o Articolo
book: Theoretical and Computational Approaches to Predicting Ionic Liquid Properties - (9780128202807)
11573/1549538 - 2021 -
CO2 Capture in Biocompatible Amino Acid Ionic Liquids: Exploring the Reaction Mechanisms for Bimolecular Absorption Processes Onofri, Stefano; Bodo, Enrico - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 5611-5619 - issn: 1520-6106 - wos: WOS:000661116600015 (20) - scopus: 2-s2.0-85107711520 (23)
11573/1565155 - 2021 -
Reactive pathways toward parasitic release of singlet oxygen in metal-air batteries Pierini, Adriano; Brutti, Sergio; Bodo, Enrico - 01a Articolo in rivista
paper: NPJ COMPUTATIONAL MATERIALS (London : Nature Publishing Group) pp. - - issn: 2057-3960 - wos: WOS:000683739600001 (18) - scopus: 2-s2.0-85112069957 (18)
11573/1580685 - 2021 -
Study of the Electronic Structure of Alkali Peroxides and Their Role in the Chemistry of Metal–Oxygen Batteries Pierini, Adriano; Brutti, Sergio; Bodo, Enrico - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 9368-9376 - issn: 1089-5639 - wos: WOS:000713417800012 (3) - scopus: 2-s2.0-85118155749 (3)
11573/1581267 - 2021 -
Reactions in non-aqueous alkali and alkaline-earth metal-oxygen batteries: a thermodynamic study Pierini, Adriano; Brutti, Sergio; Bodo, Enrico - 01a Articolo in rivista
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 24487-24496 - issn: 1463-9076 - wos: WOS:000711110200001 (4) - scopus: 2-s2.0-85119093771 (4)
11573/1565157 - 2021 -
Advanced Raman spectroscopy detection of oxidative damage in nucleic acid bases: probing chemical changes and intermolecular interactions in guanosine at ultralow concentration Ripanti, Francesca; Fasolato, Claudia; Mazzarda, Flavia; Palleschi, Simonetta; Ceccarini, Marina; Li, Chunchun; Bignami, Margherita; Bodo, Enrico; Bell, Steven E J; Mazzei, Filomena; Postorino, Paolo - 01a Articolo in rivista
paper: ANALYTICAL CHEMISTRY (Washington: American Chemical Society, ©1948-) pp. 10825-10833 - issn: 0003-2700 - wos: WOS:000685202700013 (13) - scopus: 2-s2.0-85112813704 (14)
11573/1407830 - 2020 -
Theoretical Insights into the Structure of the Aminotris(Methylenephosphonic Acid) (ATMP) Anion: A Possible Partner for Conducting Ionic Media Adenusi, Henry; Chass, Gregory; Bodo, Enrico - 01a Articolo in rivista
paper: SYMMETRY (Basel : Molecular Diversity Preservation International) pp. 1-15 - issn: 2073-8994 - wos: WOS:000550814600001 (3) - scopus: 2-s2.0-85087443928 (4)
11573/1367077 - 2020 -
Ab initio molecular dynamics study of phospho-amino acid-based ionic liquids: formation of zwitterionic anions in the presence of acidic side chains Adenusi, Henry; Le Donne, Andrea; Porcelli, Francesco; Bodo, Enrico - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 1955-1964 - issn: 1520-6106 - wos: WOS:000526860700011 (15) - scopus: 2-s2.0-85081945784 (16)
11573/1407836 - 2020 -
Structural features of triethylammonium acetate through molecular dynamics Bodo, E. - 01a Articolo in rivista
paper: MOLECULES (Basel: MDPI
Berlin: Springer, 1996-) pp. 1-14 - issn: 1420-3049 - wos: WOS:000530248700175 (13) - scopus: 2-s2.0-85082075505 (13)
11573/1455369 - 2020 -
CO2 Capture in Ionic Liquids Based on Amino Acid Anions With Protic Side Chains: a Computational Assessment of Kinetically Efficient Reaction Mechanisms Onofri, Stefano; Adenusi, Henry; Le Donne, Andrea; Bodo, Enrico - 01a Articolo in rivista
paper: CHEMISTRYOPEN (Weinheim : Wiley-VCH-Verl.) pp. 1153-1160 - issn: 2191-1363 - wos: WOS:000593986800009 (16) - scopus: 2-s2.0-85096946049 (16)
11573/1429975 - 2020 -
Superoxide anions disproportionation induced by Li+ and H+: pathways to 1O2 release in Li‐O2 batteries Pierini, Adriano; Brutti, Sergio; Bodo, Enrico - 01a Articolo in rivista
paper: CHEMPHYSCHEM (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 2060-2067 - issn: 1439-4235 - wos: WOS:000560851500001 (24) - scopus: 2-s2.0-85089575220 (21)
11573/1305395 - 2019 -
On the formation of propylene oxide from propylene in space: gas-phase reactions Bodo, E.; Bovolenta, Giulia; Simha, C.; Spezia, R. - 01a Articolo in rivista
paper: THEORETICAL CHEMISTRY ACCOUNTS (Springer Verlag Germany:Tiergartenstrasse 17, D 69121 Heidelberg Germany:011 49 6221 3450, EMAIL: g.braun@springer.de, INTERNET: http://www.springer.de, Fax: 011 49 6221 345229) pp. - - issn: 1432-881X - wos: WOS:000479061600001 (6) - scopus: 2-s2.0-85070094830 (5)
11573/1227102 - 2019 -
Ultra-Fast -VUV photoemission study of UV excited 2-nitrophenol Ciavardini, Alessandra; Coreno, Marcello; Callegari, Carlo; Spezzani, Carlo; De Ninno, Giovanni; Ressel, Barbara; Grazioli, Cesare; De Simone, Monica; Kivimäki, Antti; Miotti, Paolo; Frassetto, Fabio; Poletto, Luca; Puglia, Carla; Fornarini, Simonetta; Pezzella, Marco; Bodo, Enrico; Piccirillo, Susanna - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 1295-1302 - issn: 1089-5639 - wos: WOS:000459836600003 (25) - scopus: 2-s2.0-85061967079 (24)
11573/1269250 - 2019 -
Vibrational signatures of curcumin's chelation in copper(II) complexes: An appraisal by IRMPD spectroscopy Corinti, Davide; Maccelli, Alessandro; Chiavarino, Barbara; Maitre, Philippe; Scuderi, Debora; Bodo, Enrico; Fornarini, Simonetta; Crestoni, Maria Elisa - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. - - issn: 0021-9606 - wos: WOS:000466698700054 (11) - scopus: 2-s2.0-85064925285 (11)
11573/1305393 - 2019 -
Structural features of cholinium based protic ionic liquids through molecular dynamics Le Donne, Andrea; Adenusi, Henry; Porcelli, Francesco; Bodo, Enrico - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 5568-5576 - issn: 1520-6106 - wos: WOS:000474796300019 (22) - scopus: 2-s2.0-85068410130 (23)
11573/1209227 - 2019 -
Strong intramolecular hydrogen bonding in protonated β-methylaminoalanine: a vibrational spectroscopic and computational study Linford, Bryan D; Le Donne, Andrea; Scuderi, Debora; Bodo, Enrico; Fridgen, Travis D - 01a Articolo in rivista
paper: EUROPEAN JOURNAL OF MASS SPECTROMETRY (IM Publications:6 Charlton Mill, Charlton Chichester, West Sussex PO18 0HY United Kingdom:011 44 1243 811334, EMAIL: imp@impub.demon.co.uk, INTERNET: http://www.impub.co.uk, Fax: 011 44 1243 811711) pp. 133-141 - issn: 1469-0667 - wos: WOS:000458990100014 (4) - scopus: 2-s2.0-85062089376 (5)
11573/1025495 - 2018 -
Isomerization patterns and proton transfer in ionic liquids constituents as probed by ab-initio computation Bodo, Enrico; Le Donne, Andrea - 01a Articolo in rivista
paper: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. 1075-1082 - issn: 0167-7322 - wos: WOS:000423892100122 (11) - scopus: 2-s2.0-85037114735 (11)
11573/1083617 - 2018 -
Hydrogen bonding features in cholinium-based protic ionic liquids from molecular dynamics simulations Campetella, Marco; Le Donne, Andrea; Daniele, Maddalena; Gontrani, Lorenzo; Lupi, Stefano; Bodo, Enrico; Leonelli, Francesca - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 2635-2645 - issn: 1520-6106 - wos: WOS:000427331400019 (40) - scopus: 2-s2.0-85043511566 (40)
11573/1083635 - 2018 -
An experimental and theoretical investigation of XPS and NEXAFS of 5-halouracils Castrovilli, M. C.; Bolognesi, P.; Bodo, E.; Mattioli, G.; Cartoni, A.; Avaldi, L. - 01a Articolo in rivista
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 6657-6667 - issn: 1463-9076 - wos: WOS:000429280100066 (12) - scopus: 2-s2.0-85042761889 (11)
11573/1139258 - 2018 -
Hydrogen bonding as a clustering agent in protic ionic liquids: like-charge vs opposite-charge dimer formation Le Donne, Andrea; Adenusi, Henry; Porcelli, Francesco; Bodo, Enrico - 01a Articolo in rivista
paper: ACS OMEGA (Washington, D.C. : American Chemical Society, 2016-) pp. 10589-10600 - issn: 2470-1343 - wos: WOS:000446186000018 (22) - scopus: 2-s2.0-85053015483 (22)
11573/949365 - 2017 -
Unexpected proton mobility in the bulk phase of cholinium-based ionic liquids: New insights from theoretical calculations Campetella, Marco; Montagna, Maria; Gontrani, Lorenzo; Scarpellini, Eleonora; Bodo, Enrico - 01a Articolo in rivista
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 11869-11880 - issn: 1463-9076 - wos: WOS:000401640600016 (33) - scopus: 2-s2.0-85024479877 (34)
11573/949364 - 2017 -
Adenosine monophosphate recognition by zinc-salophen complexes: IRMPD spectroscopy and quantum modeling study Ciavardini, Alessandra; Dalla Cort, Antonella; Fornarini, Simonetta; Scuderi, Debora; Giardini, Anna; Forte, Gianpiero; Bodo, Enrico; Piccirillo, Susanna - 01a Articolo in rivista
paper: JOURNAL OF MOLECULAR SPECTROSCOPY (-SAN DIEGO;ACADEMIC PRESS INC ELSEVIER SCIENCE
-Orlando, FL, Usa: Academic Press Incorporated) pp. 108-116 - issn: 0022-2852 - wos: WOS:000400716000020 (11) - scopus: 2-s2.0-85016030659 (12)
11573/1006475 - 2017 -
Experimental and computational Investigation of salophen-Zn gas phase complexes with cations: a source of possible interference in anionic recognition Ciavardini, Alessandra; Fornarini, Simonetta; Dalla Cort, Antonella; Piccirillo, Susanna; Scuderi, Debora; Bodo, Enrico - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 7042-7050 - issn: 1089-5639 - wos: WOS:000411771900019 (1) - scopus: 2-s2.0-85029744969 (1)
11573/1006476 - 2017 -
Solvation properties of the actinide Ion Th(IV) in DMSO and DMSO:water mixtures through polarizable molecular dynamics Montagna, Maria; Spezia, Riccardo; Bodo, Enrico - 01a Articolo in rivista
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 11929-11937 - issn: 0020-1669 - wos: WOS:000412379000052 (7) - scopus: 2-s2.0-85030548693 (8)
11573/999434 - 2017 -
Structural and energetic properties of La3+ in water/DMSO mixtures Montagna, Maria; Spezia, Riccardo; Bodo, Enrico - 01a Articolo in rivista
paper: JOURNAL OF MOLECULAR STRUCTURE (Tokyo ; Oxford ; New York ; London ; Amsterdam : Elsevier) pp. 381-387 - issn: 0022-2860 - wos: WOS:000409150300043 (3) - scopus: 2-s2.0-85026269359 (3)
11573/869237 - 2016 -
Theoretical study of ionic liquids based on the cholinium cation. Ab initio simulations of their condensed phases Campetella, Marco; Bodo, Enrico; Montagna, Maria; De Santis, Serena; Gontrani, Lorenzo - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. - - issn: 0021-9606 - wos: WOS:000372974600022 (33) - scopus: 2-s2.0-84960922160 (35)
11573/893139 - 2016 -
Conformational change in the mechanism of inclusion of Ketoprofen in β-Cyclodextrin: NMR spectroscopy, ab initio calculations, molecular dynamics simulations, and photoreactivity Guzzo, T; Mandaliti, W; Nepravishta, R; Aramini, A; Bodo, Enrico; Daidone, I; Allegretti, M; Topai, A; Paci, M. - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 10668-10678 - issn: 1520-6106 - wos: WOS:000386107500006 (14) - scopus: 2-s2.0-84992199707 (15)
11573/869236 - 2016 -
Structure, stability, and electronic properties of dimethyl sulfoxide and dimethyl formammide clusters containing Th(4+) Montagna, Maria; Jeanvoine, Yannick; Spezia, Riccardo; Bodo, Enrico - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 4778-4788 - issn: 1089-5639 - wos: WOS:000379988900020 (4) - scopus: 2-s2.0-84978863015 (4)
11573/895201 - 2016 -
Amino-acids oxidation: a combined study of cysteine oxo forms by IRMPD spectroscopy and simulations Scuderi, Debora; Bodo, Enrico; Chiavarino, Barbara; Fornarini, Simonetta; Crestoni, Maria Elisa - 01a Articolo in rivista
paper: CHEMISTRY-A EUROPEAN JOURNAL (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 17239-17250 - issn: 0947-6539 - wos: WOS:000387854800020 (20) - scopus: 2-s2.0-84995544857 (20)
11573/788439 - 2015 -
Lanthanum(III) and Lutetium(III) in nitrate-based ionic liquids: a theoretical study of their coordination shell Bodo, Enrico - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 11833-11838 - issn: 1520-6106 - wos: WOS:000360947400040 (16) - scopus: 2-s2.0-84940848347 (15)
11573/893140 - 2015 -
Solvent structure around lanthanoid(III) ions in liquid DMSO as revealed by polarizable molecular dynamics simulations Bodo, Enrico; Macaluso, Veronica; Spezia, Riccardo - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 13347-13357 - issn: 1520-6106 - wos: WOS:000363916400012 (7) - scopus: 2-s2.0-84945245504 (7)
11573/788083 - 2015 -
Interaction and dynamics of ionic liquids based on choline and amino acid anions Campetella, Marco; Bodo, Enrico; Caminiti, Ruggero; Martino, Antonio; D'apuzzo, Fausto; Lupi, Stefano; Gontrani, Lorenzo - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. - - issn: 0021-9606 - wos: WOS:000356623000021 (55) - scopus: 2-s2.0-84932101832 (56)
11573/538801 - 2014 -
Amino acid anions in organic ionic compounds. An ab initio study of selected ion pairs Benedetto, Antonio; Bodo, Enrico; Gontrani, Lorenzo; Ballone, Pietro Angelo; Caminiti, Ruggero - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 2471-2486 - issn: 1520-6106 - wos: WOS:000332756200018 (45) - scopus: 2-s2.0-84897694459 (50)
11573/788438 - 2014 -
Structural, energetic, and electronic properties of La(III)-dimethyl sulfoxide clusters Bodo, Enrico; Chiricotto, Mara; Spezia, Riccardo - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 11602-11-11611 - issn: 1089-5639 - wos: WOS:000346320800017 (4) - scopus: 2-s2.0-84916624374 (4)
11573/620203 - 2014 -
Anion recognition by uranyl-salophen derivatives as probed by infrared multiple photon dissociation spectroscopy and Ab initio modeling Bodo, Enrico; Ciavardini, Alessandra; Dalla Cort, Antonella; Giannicchi, Ilaria; Yafteh Mihan, Francesco; Fornarini, Simonetta; Vasile, Silvana; Scuderi, Debora; Piccirillo, Susanna - 01a Articolo in rivista
paper: CHEMISTRY-A EUROPEAN JOURNAL (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 11783-11792 - issn: 0947-6539 - wos: WOS:000341630500026 (17) - scopus: 2-s2.0-84906951477 (17)
11573/560282 - 2014 -
Interaction of a long alkyl chain protic ionic liquid and water Bodo, Enrico; Sara, Mangialardo; Capitani, Francesco; Gontrani, Lorenzo; Leonelli, Francesca; Postorino, Paolo - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 204503-204510 - issn: 0021-9606 - wos: WOS:000336832900040 (36) - scopus: 2-s2.0-84901746601 (36)
11573/558567 - 2014 -
Silver nanoparticles linked by a Pt-containing organometallic dithiol bridge: study of local structure and interface by XAFS and SR-XPS Chiara, Battocchio; Fratoddi, Ilaria; Fontana, Laura; Bodo, Enrico; Francesco, Porcaro; Carlo, Meneghini; Igor, Pis; Silvia, Nappini; Settimio, Mobilio; Russo, Maria Vittoria; Giovanni, Polzonetti - 01a Articolo in rivista
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 11719-11728 - issn: 1463-9076 - wos: WOS:000336796800074 (39) - scopus: 2-s2.0-84901251585 (41)
11573/584586 - 2014 -
Experimental and DFT/TDDFT Studies on the Neutral and One-electron Reduced Quinoxaline and Pyrazine Precursors and Their Mononuclear (PdII, PtII) Derivatives Donzello, Maria Pia; De Mori, Giorgia; Viola, Elisa; Futur, David; Zhen, Fu; Rizzoli, Corrado; Mannina, Luisa; Bodo, Enrico; Astolfi, Maria Luisa; Ercolani, Claudio; Kadish, Karl M. - 01a Articolo in rivista
paper: EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (Weinheim : Wiley-VCH-Verl.) pp. 3572-3581 - issn: 1099-0682 - wos: WOS:000340416000016 (5) - scopus: 2-s2.0-84927740350 (6)
11573/509815 - 2013 -
Naphthalenophane formaldehyde acetals as candidate structures for the generation of dynamic libraries via transacetalation processes Albert, Ruggi; Roberta, Cacciapaglia; Di Stefano, Stefano; Bodo, Enrico; Franco, Ugozzoli - 01a Articolo in rivista
paper: TETRAHEDRON (Elsevier Science Limited:Oxford Fulfillment Center, PO Box 800, Kidlington Oxford OX5 1DX United Kingdom:011 44 1865 843000, 011 44 1865 843699, EMAIL: asianfo@elsevier.com, tcb@elsevier.co.UK, INTERNET: http://www.elsevier.com, http://www.elsevier.com/locate/shpsa/, Fax: 011 44 1865 843010) pp. 2767-2774 - issn: 0040-4020 - wos: WOS:000315843800012 (5) - scopus: 2-s2.0-84874306804 (5)
11573/524849 - 2013 -
Theoretical Description of Ionic Liquids Bodo, Enrico; Migliorati, Valentina - 02a Capitolo o Articolo
book: The Structure of Ionic Liquids - ()
11573/515397 - 2013 -
A prototypical ionic liquid explored by ab initio molecular dynamics and Raman spectroscopy Bodo, Enrico; Postorino, Paolo; Sferrazza, Alessio; Caminiti, Ruggero; Mangialardo, Sara - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 144309- - issn: 0021-9606 - wos: WOS:000325780800028 (36) - scopus: 2-s2.0-84903362134 (37)
11573/515398 - 2013 -
Conformational Isomerisms and Nano-Aggregation in Substituted Alkylammonium Nitrates Ionic Liquids: an X-ray and Computational Study of 2-OMeEAN Campetella, Marco; Gontrani, Lorenzo; Bodo, Enrico; Ceccacci, Francesca; Flaminia Cesare, Marincola; Caminiti, Ruggero - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 184506-1-184506-7 - issn: 0021-9606 - wos: WOS:000319290800038 (29) - scopus: 2-s2.0-84877943789 (32)
11573/524848 - 2013 -
Raman Spectroscopy in Ionic Liquids Under Variable Thermodynamic and Environmental Conditions. Mangialardo, Sara; Baldassarre, Leonetta; Bodo, Enrico; Postorino, Paolo - 02a Capitolo o Articolo
book: The Structure of Ionic Liquids - (9783319016979; 9783319016986)
11573/505902 - 2013 -
The soft X-ray absorption spectrum of the allyl free radical Michele, Alagia; Bodo, Enrico; Piero, Decleva; Stefano, Falcinelli; Aurora, Ponzi; Robert, Richter; Stranges, Stefano - 01a Articolo in rivista
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 1310-1318 - issn: 1463-9076 - wos: WOS:000312462400031 (57) - scopus: 2-s2.0-84871746234 (59)
11573/515543 - 2013 -
Probing the Competition among Different Coordination Motifs in Metal-Ciprofloxacin Complexes through IRMPD Spectroscopy and DFT Calculations Susanna, Piccirillo; Alessandra, Ciavardini; Bodo, Enrico; Flaminia, Rondino; Debora, Scuderi; Vincent, Steinmetz; Alessandra, Paladini - 01a Articolo in rivista
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 103-112 - issn: 0020-1669 - wos: WOS:000313220500015 (8) - scopus: 2-s2.0-84872117626 (8)
11573/131202 - 2012 -
Infrared multiple photon dissociation spectroscopy of ciprofloxacin: Investigation of the protonation site Bodo, Enrico; A., Ciavardini; A., Giardini; A., Paladini; S., Piccirillo; F., Rondino; D., Scuderi - 01a Articolo in rivista
paper: CHEMICAL PHYSICS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 124-128 - issn: 0301-0104 - wos: WOS:000304002100018 (17) - scopus: 2-s2.0-84859883449 (17)
11573/485463 - 2012 -
Unravelling the structure of protic ionic liquids with theoretical and experimental methods: ethyl-, propyl- and butylammonium nitrate explored by raman spectroscopy and DFT calculations Bodo, Enrico; Mangialardo, Sara; Ramondo, Fabio; Ceccacci, Francesca; Postorino, Paolo - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 13878-13888 - issn: 1520-6106 - wos: WOS:000311650300008 (80) - scopus: 2-s2.0-84870380992 (84)
11573/485464 - 2012 -
Structural Changes of Conjugated Pt-Containing Polymetallaynes Exposed to Gamma Ray Radiation Doses Fratoddi, Ilaria; Erika S., Bronze Uhle; Augusto Batagin, Neto; David M., Fernandes; Bodo, Enrico; Chiara, Battocchio; Venditti, Iole; Decker, Franco; Russo, Maria Vittoria; Giovanni, Polzonetti; Carlos F. O., Graeff - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 8768-8774 - issn: 1089-5639 - wos: WOS:000308119800014 (18) - scopus: 2-s2.0-84865682887 (18)
11573/485462 - 2012 -
The Interpretation of Diffraction Patterns of Two Prototypical Protic Ionic Liquids: a Challenging Task for Classical Molecular Dynamics Simulations Gontrani, Lorenzo; Bodo, Enrico; Alessandro, Triolo; Leonelli, Francesca; D'angelo, Paola; Migliorati, Valentina; Caminiti, Ruggero - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 13024-13032 - issn: 1520-6106 - wos: WOS:000310482800015 (58) - scopus: 2-s2.0-84868227268 (58)
11573/131203 - 2011 -
Optical Behavior of Conjugated Pt-Containing Polymetallaynes Exposed to Gamma-Ray Radiation Doses Augusto Batagin, Neto; Erika S., Bronze Uhle; David M., Fernandes; Fratoddi, Ilaria; Venditti, Iole; Decker, Franco; Bodo, Enrico; Russo, Maria Vittoria; Carlos F. O., Graeff - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 8047-8053 - issn: 1520-6106 - wos: WOS:000291896200001 (17) - scopus: 2-s2.0-79959544852 (17)
11573/415547 - 2011 -
The Structure of Geminal Imidazolium Bis(trifluoromethanesulfonyl)imide Dicationic Ionic Liquids: A Theoretical Study of the Liquid Phase Bodo, Enrico; Chiricotto, M; Caminiti, Ruggero - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 14341-14347 - issn: 1520-6106 - wos: WOS:000297608600003 (43) - scopus: 2-s2.0-83455201697 (46)
11573/355770 - 2011 -
Theoretical description of Ionic Liquids Bodo, Enrico; Migliorati, Valentina - 02a Capitolo o Articolo
book: Ionic Liquid / book 1 - (9789533076348)
11573/389835 - 2011 -
Structure of the Molten Salt Methyl Ammonium Nitrate Explored by Experiments and Theory Bodo, Enrico; Postorino, Paolo; Mangialardo, Sara; Piacente, G.; Ramondo, F.; Bosi, Ferdinando; Ballirano, Paolo; Caminiti, Ruggero - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 13149-13161 - issn: 1520-6106 - wos: WOS:000296686000004 (47) - scopus: 2-s2.0-80855134370 (49)
11573/383588 - 2011 -
X-Ray absorption spectroscopy investigation of 1-alkyl-3-methylimidazolium bromide salts D'angelo, Paola; Zitolo, Andrea; Migliorati, Valentina; Bodo, Enrico; Giuliana, Aquilanti; Louis Hazemann, Jean; Denis, Testemale; Mancini, Giordano; Caminiti, Ruggero - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 074505- - issn: 0021-9606 - wos: WOS:000294065200029 (32) - scopus: 2-s2.0-80052065963 (34)
11573/383977 - 2011 -
Photoinversion of sulfoxides as a source of diversity in dynamic combinatorial chemistry Di Stefano, Stefano; Mazzonna, Marco; Bodo, Enrico; Mandolini, Luigi; Lanzalunga, Osvaldo - 01a Articolo in rivista
paper: ORGANIC LETTERS (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 142-145 - issn: 1523-7060 - wos: WOS:000285728000037 (20) - scopus: 2-s2.0-78650880683 (21)
11573/386783 - 2011 -
Structural flexibility and role of vicinal 2-thienyl rings in 2,3-dicyano-5,6-di(2-thienyl)-1,4-pyrazine, [(CN)2Th2Pyz], Its palladium(II) complex [(CN)2Th2Pyz(PdCl 2)2], and the related pentametallic pyrazinoporphyrazines [(PdCl2)4Th8TPyzPzM] (M = Mg II(H2O), ZnII) Donzello, Maria Pia; Giorgia De, Mori; Viola, Elisa; Ercolani, Claudio; Bodo, Enrico; Mannina, Luisa; Donatella, Capitani; Corrado, Rizzoli; Gontrani, Lorenzo; Giuliana, Aquilanti; M., Kadish Karl; D'angelo, Paola - 01a Articolo in rivista
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 12116-12125 - issn: 0020-1669 - wos: WOS:000297274600034 (8) - scopus: 2-s2.0-82355190396 (7)
11573/379141 - 2011 -
Charge exchange in collisions of beryllium with its ion Peng, Zhang; Alexander, Dalgarno; Robin, Cote; Bodo, Enrico - 01a Articolo in rivista
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 19026-19035 - issn: 1463-9076 - wos: WOS:000296027500040 (18) - scopus: 2-s2.0-80055046677 (19)
11573/365270 - 2010 -
The Structure of Geminal Imidazolium Bis(trifluoromethylsulfonyl)amide Ionic Liquids A Theoretical Study of the Gas Phase Ionic Complexes Bodo, Enrico; Caminiti, Ruggero - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 12506-12512 - issn: 1089-5639 - wos: WOS:000284454800018 (25) - scopus: 2-s2.0-78649551626 (24)
11573/360228 - 2010 -
Theoretical treatment of the electronic excited states of the DMSO molecule: A challenge for current theoretical methods Bodo, Enrico; G., Lanaro - 01a Articolo in rivista
paper: CHEMICAL PHYSICS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 136-141 - issn: 0301-0104 - wos: WOS:000284459400019 (2) - scopus: 2-s2.0-77957198034 (2)
11573/334166 - 2010 -
Structural determination of ionic liquids with theoretical methods: C 8mimBr and C8mimCl. Strength and weakness of current force fields Bodo, Enrico; Gontrani, Lorenzo; A., Triolo; Caminiti, Ruggero - 01a Articolo in rivista
paper: THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS (Washington, DC: American Chemical Society) pp. 1095-1100 - issn: 1948-7185 - wos: WOS:000277041300017 (29) - scopus: 2-s2.0-77950569507 (31)
11573/365057 - 2010 -
Structural Properties of 1-Alkyl-3-methylimidazolium Bis{(trifluoromethyl)sulfonyl}amide Ionic Liquids: X-ray Diffraction Data and Molecular Dynamics Simulations Bodo, Enrico; Gontrani, Lorenzo; Caminiti, Ruggero; Natalia V., Plechkova; Kenneth R., Seddon; Alessandro, Triolo - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 16398-16407 - issn: 1520-6106 - wos: WOS:000284990700044 (92) - scopus: 2-s2.0-78650099286 (91)
11573/129475 - 2009 -
Low and ultra-low energy chemical processes involving ions Bodo, Enrico - 01a Articolo in rivista
paper: PHYSICA SCRIPTA (Royal Swedish Academy of Sciences:Publications Department, Box 50005, S-104 05 Stockholm Sweden:011 46 8 1664480, INTERNET: http://www.kva.se/eng/index.html, Fax: 011 46 8 166405, 011 46 8 6739590) pp. 048117-048122 - issn: 0031-8949 - wos: WOS:000270388200033 (3) - scopus: 2-s2.0-70450201803 (4)
conference: 17th European Conference on Dynamics of Molecular Systems (MOLEC XVII) (St Petersburg, RUSSIA)
11573/359526 - 2009 -
Spin-driven structural effects in alkali doped He-4 clusters from quantum calculations Bovino, Stefano; Coccia, Emanuele; Bodo, Enrico; Lopez Duran, D; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 224903-224908 - issn: 0021-9606 - wos: WOS:000266968800032 (25) - scopus: 2-s2.0-67549114551 (26)
11573/364633 - 2009 -
Size dependent solvatation of p-H2 in 4He nanodroplets: A quantum Monte Carlo analysis Coccia, Emanuele; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. - - issn: 0021-9606 - wos: WOS:000264522900034 (7) - scopus: 2-s2.0-62249089559 (7)
11573/131200 - 2009 -
Computing a three-dimensional electronic energy manifold for the LiH plus H (sic) Li + H-2 chemical reaction M., Wernli; D., Caruso; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 1121-1128 - issn: 1089-5639 - wos: WOS:000263134900023 (41) - scopus: 2-s2.0-61649124805 (41)
11573/230410 - 2009 -
A quantum modelling of the chemistry of LiH+ with He from ab initio calculations: ionic reactions in He nanodroplets M., Wernli; Scifoni, Emanuele; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: INTERNATIONAL JOURNAL OF MASS SPECTROMETRY (Amsterdam ; Lausanne ; New York ; Oxford ; Shannon ; Tokyo : Elsevier) pp. 57-64 - issn: 1387-3806 - wos: WOS:000263195500010 (6) - scopus: 2-s2.0-58149517949 (6)
11573/131196 - 2009 -
Near Resonance Charge Exchange in Ion-Atom Collisions of Lithium Isotopes Zhang, P; Bodo, Enrico; Dalgarno, A. - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 15085-15091 - issn: 1089-5639 - wos: WOS:000273263700113 (26) - scopus: 2-s2.0-73949129022 (25)
11573/129902 - 2008 -
Ultra-cold ion-atom collisions: near resonant charge exchange Bodo, Enrico; Zhang, Peng; Dalgarno, Alexander - 01a Articolo in rivista
paper: NEW JOURNAL OF PHYSICS (Institute of Physics Publishing,
IOP PUBLISHING LTD, DIRAC HOUSE, TEMPLE BACK, BRISTOL, ENGLAND, BS1 6BE) pp. - - issn: 1367-2630 - wos: WOS:000254099000002 (37) - scopus: 2-s2.0-46249105274 (39)
11573/363937 - 2008 -
Ultralow-energy vibrational quenching in ionic collisions: Isotope effects in Li+ + D2 encounters Bovino, Stefano; Bodo, Enrico; Gianturco, Francesco Giuseppe - 01a Articolo in rivista
paper: PHYSICAL REVIEW A (New York N.Y. : Published by the American Physical Society through the American Institute of Physics) pp. - - issn: 1050-2947 - wos: WOS:000255457100089 (2) - scopus: 2-s2.0-42449143006 (2)
11573/129658 - 2008 -
Vibrational cooling of spin-stretched dimer states by He buffer gas: quantum calculations for Li2(aΣu+3) at ultralow energies Bovino, Stefano; Bodo, Enrico; Yurtsever, Ersin; Gianturco, Francesco A - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. - - issn: 0021-9606 - wos: WOS:000256706300021 (11) - scopus: 2-s2.0-45149133706 (12)
11573/359737 - 2008 -
Nanoscopic phase changes in doped 4He droplets Coccia, Emanuele; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: EUROPHYSICS LETTERS (EDP Sciences:17 Ave Du Hoggar, BP112, 91944 Les Ulis Cedex A France:011 33 1 69187575, EMAIL: subscribers@edpsciences.com, INTERNET: http://www.edpsciences.com, Fax: 011 33 1 69860678) pp. 23001-6-23001-6 - issn: 0295-5075 - wos: WOS:000255369400009 (19) - scopus: 2-s2.0-79051469973 (20)
11573/208010 - 2008 -
Quantum structuring of $^{4}$He
Atoms around Ionic Dopants: energetics of Li$^{+}$, Na$^{+}$ and
K$^{+}$ from Stochastic Calculations. Coccia, Emanuele; Bodo, Enrico; Marinetti, Fabio; Gianturco, Francesco Antonio; E., Yurtsever; M., Yurtsever; E., Yildirim - 04b Atto di convegno in volume
conference: ISAAC 2007 ()
book: ISAAC 2007 CONFERENCE PROCEEDINGS, - ()
11573/359083 - 2008 -
Anionic microsolvation in helium droplets: O H- (He)N structures from classical and quantum calculations Coccia, Emanuele; Marinetti, Fabio; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. - - issn: 0021-9606 - wos: WOS:000254778800035 (18) - scopus: 2-s2.0-41849127090 (19)
11573/359750 - 2008 -
Chemical solutions in a quantum solvent: Anionic electrolytes in 4He nanodroplets Coccia, Emanuele; Marinetti, Fabio; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: CHEMPHYSCHEM (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 1323-1330 - issn: 1439-4235 - wos: WOS:000257537800016 (20) - scopus: 2-s2.0-48249109954 (20)
11573/229908 - 2008 -
Quenching efficiciency of "hot" polar molecules by 4He buffer at ultralow energies: quantum results for MgH and LiH rotations González-Sánchez, Lola; Bodo, Enrico; Yurtsever, Ersin; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE EUROPEAN PHYSICAL JOURNAL. D, ATOMIC, MOLECULAR AND OPTICAL PHYSICS (Les Ulis: EDP Sciences.
Springer Verlag Germany) pp. 75-82 - issn: 1434-6060 - wos: WOS:000256325200010 (7) - scopus: 2-s2.0-44649133359 (7)
11573/230361 - 2008 -
Ionic interactions and quenching dynamics in cold traps: rotationally cooling collisions of OH-('Σ+) with Rb(2S) González-Sánchez, Lola; Tacconi, Mario; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE EUROPEAN PHYSICAL JOURNAL. D, ATOMIC, MOLECULAR AND OPTICAL PHYSICS (Les Ulis: EDP Sciences.
Springer Verlag Germany) pp. 85-92 - issn: 1434-6060 - wos: WOS:000259449100011 (15) - scopus: 2-s2.0-53549124670 (14)
11573/229678 - 2008 -
Synthesis of new 2-phospono-a-D-glycoside derivatives by stereoselective oxa-Michael addition to a D-galacto derived enone Leonelli, Francesca; Capuzzi, M; Bodo, Enrico; Passacantilli, Pietro; Piancatelli, Giovanni - 01a Articolo in rivista
paper: CARBOHYDRATE RESEARCH (Elsevier Science Limited:Oxford Fulfillment Center, PO Box 800, Kidlington Oxford OX5 1DX United Kingdom:011 44 1865 843000, 011 44 1865 843699, EMAIL: asianfo@elsevier.com, tcb@elsevier.co.UK, INTERNET: http://www.elsevier.com, http://www.elsevier.com/locate/shpsa/, Fax: 011 44 1865 843010) pp. 1133-1141 - issn: 0008-6215 - wos: WOS:000256004800001 (5) - scopus: 2-s2.0-41949110995 (4)
11573/129278 - 2008 -
ASPIN: an all spin scattering code for atom-molecule rovibrationally inelastic cross sections Lopez Duran, D; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: COMPUTER PHYSICS COMMUNICATIONS (Amsterdam: Elsevier BV) pp. 821-838 - issn: 0010-4655 - wos: WOS:000261014300008 (46) - scopus: 2-s2.0-54049083089 (47)
11573/360338 - 2008 -
Energetics and structures of charged helium clusters: comparing stabilities of dimer and trimer cationic cores Marinetti, Fabio; Bodo, Enrico; Gianturco, Francesco Antonio; Ersin, Yurtsever - 01a Articolo in rivista
paper: CHEMPHYSCHEM (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 2618-2624 - issn: 1439-4235 - wos: WOS:000261721700025 (10) - scopus: 2-s2.0-57349151498 (10)
11573/129590 - 2007 -
Ionic dopants in He droplets: cluster energies from a variational and diffusion Monte Carlo approach Bodo, Enrico; Coccia, Emanuele; D., Lopez Duran; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: PHYSICA SCRIPTA (Royal Swedish Academy of Sciences:Publications Department, Box 50005, S-104 05 Stockholm Sweden:011 46 8 1664480, INTERNET: http://www.kva.se/eng/index.html, Fax: 011 46 8 166405, 011 46 8 6739590) pp. C104-C110 - issn: 0031-8949 - wos: WOS:000249100600026 (21) - scopus: 2-s2.0-34548707968 (21)
conference: 16th Biennial European Conference on Dynamics of Molecular (MOLEC) (Levico, ITALY)
11573/9358 - 2007 -
Quenching of vibrationally excited molecules by collisions with ions: controlling the scattering via Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE EUROPEAN PHYSICAL JOURNAL. D, ATOMIC, MOLECULAR AND OPTICAL PHYSICS (Les Ulis: EDP Sciences.
Springer Verlag Germany) pp. 3301-1-3301-6 - issn: 1434-6060 - wos: WOS:000245743000009 (4) - scopus: 2-s2.0-79051469211 (3)
11573/364960 - 2007 -
Collisional quenching at ultralow energies: Controlling efficiency with internal state selection Bovino, Stefano; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 224303-1-224303-7 - issn: 0021-9606 - wos: WOS:000251678900015 (3) - scopus: 2-s2.0-37149043483 (3)
11573/364239 - 2007 -
Bosonic helium droplets with cationic impurities: Onset of electrostriction and snowball effects from quantum calculations Coccia, Emanuele; Bodo, Enrico; Marinetti, Fabio; Gianturco, Francesco Antonio; E., Yidrim; E., Yurtsever; M., Yurtsever - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 124319-1-124319-8 - issn: 0021-9606 - wos: WOS:000245317800036 (55) - scopus: 2-s2.0-34047182128 (59)
E., Yurtsever; E., Yildirim; M., Yurtsever; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE EUROPEAN PHYSICAL JOURNAL. D, ATOMIC, MOLECULAR AND OPTICAL PHYSICS (Les Ulis: EDP Sciences.
Springer Verlag Germany) pp. 105-108 - issn: 1434-6060 - wos: WOS:000246772500026 (7) - scopus: 2-s2.0-34249672101 (7)
conference: 13th International Symposium on Small Paticles and Inorganic Clusters (Goteborg, SWEDEN)
11573/241368 - 2007 -
Quenching of molecular ions by buffer He gas loading at ultralow energies: rotational cooling of OH+(3Sigma--) from quantum calculations L., Gonzalez Sanchez; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE EUROPEAN PHYSICAL JOURNAL. D, ATOMIC, MOLECULAR AND OPTICAL PHYSICS (Les Ulis: EDP Sciences.
Springer Verlag Germany) pp. 65-72 - issn: 1434-6060 - wos: WOS:000247935400009 (14) - scopus: 2-s2.0-34547470476 (13)
11573/515569 - 2007 -
Collisional quenching of rotations in lithium dimers by ultracold helium: The Li[sub 2](a [sup 3]Σ[sub u][sup +]) and Li[sub 2][sup +](X [sup 2]Σ[sub g][sup +]) targets L., Gonzalez Sanchez; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 244315- - issn: 0021-9606 - wos: WOS:000251987800021 (7) - scopus: 2-s2.0-37549026428 (8)
11573/129588 - 2007 -
Rotational cooling efficiency upon molecular ionization: the case of Li-2(a(3)Sigma(+)(u)) and Li-2(+) (X-2 Sigma(+)(g)) interacting with He-4 M., Wernli; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE EUROPEAN PHYSICAL JOURNAL. D, ATOMIC, MOLECULAR AND OPTICAL PHYSICS (Les Ulis: EDP Sciences.
Springer Verlag Germany) pp. 267-272 - issn: 1434-6060 - wos: WOS:000250136000010 (10) - scopus: 2-s2.0-35348907819 (11)
11573/366689 - 2007 -
Microsolvation of an Ionic dopant in small 4He clusters: OH+ (3Sigma-)-4HeN via genetic algorithm optimizations Marinetti, Fabio; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: CHEMPHYSCHEM (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 93-100 - issn: 1439-4235 - wos: WOS:000243502800015 (19) - scopus: 2-s2.0-33846432359 (20)
11573/364579 - 2007 -
Bosonic Helium clusters doped by alkali cations: interaction forces and analysis of their most stable structures Marinetti, Fabio; Coccia, Emanuele; Bodo, Enrico; Gianturco, Francesco Antonio; Yurtsever, E; Yurtsever, M; Yildirim, E. - 01a Articolo in rivista
paper: THEORETICAL CHEMISTRY ACCOUNTS (Springer Verlag Germany:Tiergartenstrasse 17, D 69121 Heidelberg Germany:011 49 6221 3450, EMAIL: g.braun@springer.de, INTERNET: http://www.springer.de, Fax: 011 49 6221 345229) pp. 53-65 - issn: 1432-881X - wos: WOS:000247786800006 (31) - scopus: 2-s2.0-34547297431 (35)
11573/365533 - 2007 -
Microsolvation of cationic dimers in 4He droplets: geometries of A2+(He) N (A=Li,Na,K) from optimized energies Marinetti, Fabio; Uranga Pina, L. L.; Coccia, Emanuele; D., Lopez Duran; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 12289-12294 - issn: 1089-5639 - wos: WOS:000251518000015 (24) - scopus: 2-s2.0-38049185082 (26)
11573/129587 - 2007 -
Low energy H+CO scattering revisited - CO rotational excitation with new potential surfaces Shepler, Bc; Yang, Bh; Kumar, Tjd; Stancil, Pc; Bowman, Jm; Balakrishnan, N; Zhang, P; Bodo, Enrico; Dalgarno, A. - 01a Articolo in rivista
paper: ASTRONOMY & ASTROPHYSICS (Les Ulis: EDP Sciences, 2001-
Berlin; Heidelberg; New York: Springer, 1969-2000) pp. L15-L18 - issn: 0004-6361 - wos: WOS:000250903700003 (28) - scopus: 2-s2.0-36549012245 (31)
11573/241567 - 2007 -
Interaction of NH(XΣ-) with Rb and Cs atoms: similarities and differences from an highly correlated ab initio study Tacconi, Mario; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THEORETICAL CHEMISTRY ACCOUNTS (Springer Verlag Germany:Tiergartenstrasse 17, D 69121 Heidelberg Germany:011 49 6221 3450, EMAIL: g.braun@springer.de, INTERNET: http://www.springer.de, Fax: 011 49 6221 345229) pp. 649-662 - issn: 1432-881X - wos: WOS:000246176100005 (16) - scopus: 2-s2.0-34247588709 (15)
11573/365949 - 2007 -
Sympathetic cooling of NH(X-3 Sigma(-)) molecules by Rb and Cs atoms at ultralow energies Tacconi, Mario; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: PHYSICAL REVIEW A (New York N.Y. : Published by the American Physical Society through the American Institute of Physics) pp. 012708- - issn: 1050-2947 - wos: WOS:000243894100083 (20) - scopus: 2-s2.0-33846388110 (19)
11573/241565 - 2007 -
Collisions of NH(3Σ-) with Rb and Cs at ultralow energies: A quantum study of rotational cooling efficiency Tacconi, Mario; M. D., Gonzalez Sanchez; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: PHYSICAL REVIEW A (New York N.Y. : Published by the American Physical Society through the American Institute of Physics) pp. 032702-1-032702-9 - issn: 1050-2947 - wos: WOS:000249786000084 (13) - scopus: 2-s2.0-34848858916 (13)
11573/240479 - 2006 -
Ionic dimers in He droplets: Interaction potentials for Li-2(+)-He,Na-2(+)-He, and K-2(+)-He and stability of the smaller clusters Bodo, Enrico; E., Yurtsever; M., Yurtsever; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 074320-1-074320-13 - issn: 0021-9606 - wos: WOS:000235473500028 (20) - scopus: 2-s2.0-33244492109 (18)
11573/129350 - 2006 -
Ultra low-energy behavior of an ionic replacement reaction (HeHe+)-He-3-He-4+He-4 -> He-4(2)++He-3 Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: PHYSICAL REVIEW A (New York N.Y. : Published by the American Physical Society through the American Institute of Physics) pp. - - issn: 1050-2947 - wos: WOS:000236467500088 (5) - scopus: 2-s2.0-33644645568 (6)
11573/237586 - 2006 -
Collisional Quenching of molecular rovibrational energy by He buffer loading at ultralow energies Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (Taylor & Francis Limited:Rankine Road, Basingstoke RG24 8PR United Kingdom:011 44 1256 813035, EMAIL: madeline.sims@tandf.co.uk, info@tandf.co.uk, INTERNET: http://www.tandf.co.uk, Fax: 011 44 1256 330245) pp. 313-351 - issn: 0144-235X - wos: WOS:000238999100002 (43) - scopus: 2-s2.0-33746077750 (43)
11573/129349 - 2006 -
Vibrational quenching at ultralow energies: Calculations of the Li-2((1)Sigma(+)(g);nu >> 0)+He superelastic scattering cross sections Bodo, Enrico; Gianturco, Francesco Antonio; E., Yurtsever - 01a Articolo in rivista
paper: PHYSICAL REVIEW A (New York N.Y. : Published by the American Physical Society through the American Institute of Physics) pp. - - issn: 1050-2947 - wos: WOS:000237949300080 (18) - scopus: 2-s2.0-33744729334 (20)
11573/241067 - 2006 -
Isotopic replacement in ionic systems: The 4He2++3He → 3He4He+ + 4He reaction Bodo, Enrico; M., Lara; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 044308-1-044308-10 - issn: 0021-9606 - wos: WOS:000234979300022 (3) - scopus: 2-s2.0-31544476897 (3)
11573/240660 - 2006 -
Adaptive clustering of a quantum solvent: the LiH+ impurity in bosonic helium from stochastic calculations C., Di Paola; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE EUROPEAN PHYSICAL JOURNAL. D, ATOMIC, MOLECULAR AND OPTICAL PHYSICS (Les Ulis: EDP Sciences.
Springer Verlag Germany) pp. 377-385 - issn: 1434-6060 - wos: WOS:000243260100010 (11) - scopus: 2-s2.0-37849187045 (12)
11573/241466 - 2006 -
Quantum scattering of OH(X2Π) with He(1S): propensity features in rotational relaxation at ultralow energies L., Gonzalez Sanchez; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: PHYSICAL REVIEW A (New York N.Y. : Published by the American Physical Society through the American Institute of Physics) pp. 022703-1-022703-8 - issn: 1050-2947 - wos: WOS:000235668100100 (24) - scopus: 2-s2.0-33144462349 (23)
11573/241569 - 2006 -
OH-(X1Sigma+) Collisions with 4He(1S) at vanishing energies: a quantum analysis of rotational quenching efficiency L., Gonzalez Sanchez; Marinetti, Fabio; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: JOURNAL OF PHYSICS. B, ATOMIC MOLECULAR AND OPTICAL PHYSICS (IOP Publishing Limited:Dirac House, Temple Back, Bristol BS1 6BE United Kingdom:011 44 117 9297481, EMAIL: custserv@iop.org, INTERNET: http://www.iop.org, Fax: 011 44 117 9294318) pp. S1203-S1213 - issn: 0953-4075 - wos: WOS:000241766900028 (10) - scopus: 2-s2.0-33749161837 (16)
11573/384598 - 2006 -
IONIC OH AS DOPANT OF HELIUM DROPLETS: AB INITIO POTENTIAL ENERGY SURFACES FOR OH+(3Σ-)-4He, OH-(1Σ-)-4He, AND STABLE STRUCTURES OF THEIR SMALLER CLUSTERS Marinetti, Fabio; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: JOURNAL OF THEORETICAL AND COMPUTATIONAL CHEMISTRY (World Scientific Publishing Co. All rights reserved.) pp. 543-564 - issn: 0219-6336 - wos: WOS:000241507200003 (15) - scopus: 2-s2.0-33749363851 (13)
11573/241321 - 2006 -
Microsolvation of Li + in bosonic helium clusters. Many-Body effects on the structures of the small aggregates Sebastianelli, F; Bodo, Enrico; Baccarelli, I; Di Paola, C; Gianturco, Francesco Antonio; Yurtsever, M. - 01a Articolo in rivista
paper: COMPUTATIONAL MATERIALS SCIENCE (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 261-267 - issn: 0927-0256 - wos: WOS:000234968500022 (21) - scopus: 2-s2.0-28444452887 (23)
11573/241363 - 2005 -
The weak Li2-He Interaction Revisited: a combined ab-initio Empirical Modelling. Bodo, Enrico; Gianturco, Francesco Antonio; E., Yurtsever - 01a Articolo in rivista
paper: JOURNAL OF LOW TEMPERATURE PHYSICS (Plenum Press:Book Customer Service, 233 Spring Street:New York, NY 10013:(212)620-8471, (212)620-8000, EMAIL: info@plenum.com, INTERNET: http://www.plenum.com, Fax: (212)807-1047) pp. 259-264 - issn: 0022-2291 - wos: WOS:000227784000040 (21) - scopus: 2-s2.0-23944446379 (22)
11573/129534 - 2005 -
Neutral and ionic dopants in helium clusters: interaction forces for the Li-2(a(3)Sigma(+)(u))-He and Li-2(+)(X-2 Sigma(+)(g))-He complexes Bodo, Enrico; Gianturco, Francesco Antonio; E., Yurtsever; M., Yurtsever - 01a Articolo in rivista
paper: MOLECULAR PHYSICS (Taylor & Francis Limited:Rankine Road, Basingstoke RG24 8PR United Kingdom:011 44 1256 813035, EMAIL: madeline.sims@tandf.co.uk, info@tandf.co.uk, INTERNET: http://www.tandf.co.uk, Fax: 011 44 1256 330245) pp. 3223-3231 - issn: 0026-8976 - wos: WOS:000234467600001 (13) - scopus: 2-s2.0-30544451027 (14)
11573/240639 - 2005 -
Microsolvation of LiH+ in helium clusters: Many-body effects and additivity models for the interaction forces Bodo, Enrico; Sebastianelli, Francesco; Gianturco, Francesco Antonio; I., Pino - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 4252-4260 - issn: 1089-5639 - wos: WOS:000229134300007 (12) - scopus: 2-s2.0-19944421090 (12)
11573/238772 - 2005 -
Energetics and structure of the bound states in a lithium complex: The (LiH2)(+) electronic ground state Cristina, Sanz; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: CHEMICAL PHYSICS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 135-142 - issn: 0301-0104 - wos: WOS:000229392500014 (31) - scopus: 2-s2.0-18244386708 (31)
11573/241016 - 2005 -
Microsolvation of Li+ in smallHe clusters. Li+Hen species from classical and quantum calculations Di Paola, C; Sebastianelli, F; Bodo, Enrico; Baccarelli, I; Gianturco, Francesco Antonio; Yurtsever, M. - 01a Articolo in rivista
paper: JOURNAL OF CHEMICAL THEORY AND COMPUTATION (Washington, D.C. : American Chemical Society, 2005-) pp. 1045-1054 - issn: 1549-9618 - wos: WOS:000231871500029 (32) - scopus: 2-s2.0-33646428553 (36)
11573/234777 - 2005 -
Rotational cooling of molecular gases by positron impact at vanishing collision energies J., Sabin Del Valle; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: JOURNAL OF PHYSICS. B, ATOMIC MOLECULAR AND OPTICAL PHYSICS (IOP Publishing Limited:Dirac House, Temple Back, Bristol BS1 6BE United Kingdom:011 44 117 9297481, EMAIL: custserv@iop.org, INTERNET: http://www.iop.org, Fax: 011 44 117 9294318) pp. 2069-2077 - issn: 0953-4075 - wos: WOS:000230912500004 (5) - scopus: 2-s2.0-21044446946 (6)
11573/241028 - 2005 -
Ionic reactions in He nanodroplets: the [LiHHe] + complex and its possible energy pathways into products from ab initio calculations. Scifoni, Emanuele; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 224312-1-224312-10 - issn: 0021-9606 - wos: WOS:000229858500031 (10) - scopus: 2-s2.0-20544476652 (10)
11573/240834 - 2004 -
Features of chemical reactions at vanishing kineticenergies: The presence of internally “hot” reagents Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE EUROPEAN PHYSICAL JOURNAL. D, ATOMIC, MOLECULAR AND OPTICAL PHYSICS (Les Ulis: EDP Sciences.
Springer Verlag Germany) pp. 423-427 - issn: 1434-6060 - wos: WOS:000225933600028 (18) - scopus: 2-s2.0-11244320528 (18)
11573/130966 - 2004 -
Chemical reactions in the limit of zero kinetic energy: virtual states and Ramsauer minima in F+H-2 -> HF+H Bodo, Enrico; Gianturco, Francesco Antonio; Balakrishnan, N; Dalgarno, A. - 01a Articolo in rivista
paper: JOURNAL OF PHYSICS. B, ATOMIC MOLECULAR AND OPTICAL PHYSICS (IOP Publishing Limited:Dirac House, Temple Back, Bristol BS1 6BE United Kingdom:011 44 117 9297481, EMAIL: custserv@iop.org, INTERNET: http://www.iop.org, Fax: 011 44 117 9294318) pp. 3641-3648 - issn: 0953-4075 - wos: WOS:000224536600007 (73) - scopus: 2-s2.0-5444266692 (73)
11573/130905 - 2004 -
Rotational cooling of Li-2((1)Sigma(+)(g)) molecules by ultracold collisions with a helium gas buffer Bodo, Enrico; Gianturco, Francesco Antonio; Sebastianelli, Francesco; Yurtsever, E; Yurtsever, M. - 01a Articolo in rivista
paper: THEORETICAL CHEMISTRY ACCOUNTS (Springer Verlag Germany:Tiergartenstrasse 17, D 69121 Heidelberg Germany:011 49 6221 3450, EMAIL: g.braun@springer.de, INTERNET: http://www.springer.de, Fax: 011 49 6221 345229) pp. 263-269 - issn: 1432-881X - wos: WOS:000224546300009 (15) - scopus: 2-s2.0-4944234693 (16)
11573/240298 - 2004 -
Ab initio quantum dynamics with very weak van der Waals interactions: Structure and stability of small Li-2((1)Sigma(+)(g))-(He)(n) clusters Bodo, Enrico; Sebastianelli, Francesco; Gianturco, Francesco Antonio; E., Yurtsever; M., Yurtsever - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 9160-9166 - issn: 0021-9606 - wos: WOS:000221146400030 (24) - scopus: 2-s2.0-2942536224 (25)
11573/240558 - 2004 -
Rotationally inelastic collisions of electrons with H2 and N2 molecules: Converged space-frame calculations at low energies S., Telega; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE EUROPEAN PHYSICAL JOURNAL. D, ATOMIC, MOLECULAR AND OPTICAL PHYSICS (Les Ulis: EDP Sciences.
Springer Verlag Germany) pp. 357-365 - issn: 1434-6060 - wos: WOS:000221447400006 (19) - scopus: 2-s2.0-2942532536 (19)
11573/240527 - 2004 -
Charged cores in ionized 4He clusters. III A quantum modelling for the collisional relaxation dynamics. Scifoni, Emanuele; G., Dellepiane; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE EUROPEAN PHYSICAL JOURNAL. D, ATOMIC, MOLECULAR AND OPTICAL PHYSICS (Les Ulis: EDP Sciences.
Springer Verlag Germany) pp. 363-368 - issn: 1434-6060 - wos: WOS:000224301400008 (19) - scopus: 2-s2.0-4744358561 (19)
11573/131192 - 2003 -
Collisional cooling of polar diatomics in He-3 and He-4 buffer gas: A quantum calculation at ultralow energies Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 7328-7336 - issn: 1089-5639 - wos: WOS:000185344800034 (12) - scopus: 2-s2.0-0141793950 (13)
11573/129904 - 2003 -
The gas-phase lithium chemistry in the early universe: elementary processes, interaction forces and quantum dynamics Bodo, Enrico; Gianturco, Francesco Antonio; R., Martinazzo - 01a Articolo in rivista
paper: PHYSICS REPORTS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 85-119 - issn: 0370-1573 - wos: WOS:000185423800001 (69) - scopus: 2-s2.0-0041363481 (71)
11573/151222 - 2003 -
Two exothermic reactions in the "Lithium Chemistry" network: LiH+H -> Li+H2 and LiH+ + H->Li+ + H2 . A comparison of computed potential energy surfaces Bodo, Enrico; R. Martinazzo And F. A., Gianturco - 02a Capitolo o Articolo
book: High accuracy potentials for quantum dynamics - ()
11573/250240 - 2003 -
A modified Variable-Phase algorithm for multichannel scattering with long-range potentials R., Martinazzo; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: COMPUTER PHYSICS COMMUNICATIONS (Amsterdam: Elsevier BV) pp. 187-198 - issn: 0010-4655 - wos: WOS:000181015600005 (61) - scopus: 2-s2.0-0037445035 (61)
11573/252164 - 2003 -
Three-dimensional reactive surfaces for the LiH2+ system: An analysis of accurate ab initio results R., Martinazzo; Bodo, Enrico; Gianturco, Francesco Antonio; M., Raimondi - 01a Articolo in rivista
paper: CHEMICAL PHYSICS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 335-348 - issn: 0301-0104 - wos: WOS:000181104800004 (37) - scopus: 2-s2.0-0037442155 (38)
11573/250652 - 2003 -
Accurate Potential Energy Surfaces for the Study of Lithium-Hydrogen ionic reactions R., Martinazzo; G. F., Tantardini; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 11241-11248 - issn: 0021-9606 - wos: WOS:000186492900028 (66) - scopus: 2-s2.0-0348041742 (67)
11573/255139 - 2002 -
Rotational quencing in ionic systems at ultracold temperatures Bodo, Enrico; E., Scifoni; F., Sebastianelli; Gianturco, Francesco Antonio; G., Dalgarno - 01a Articolo in rivista
paper: PHYSICAL REVIEW LETTERS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 283201-1-283201-4 - issn: 0031-9007 - wos: WOS:000180317900016 (23) - scopus: 2-s2.0-0037207412 (22)
11573/254217 - 2002 -
The reaction of F+D2 at ultralow temperatures: the effect of rotational excitation Bodo, Enrico; Gianturco, Francesco Antonio; A., Dalgarno - 01a Articolo in rivista
paper: JOURNAL OF PHYSICS. B, ATOMIC MOLECULAR AND OPTICAL PHYSICS (IOP Publishing Limited:Dirac House, Temple Back, Bristol BS1 6BE United Kingdom:011 44 117 9297481, EMAIL: custserv@iop.org, INTERNET: http://www.iop.org, Fax: 011 44 117 9294318) pp. 2391-2396 - issn: 0953-4075 - wos: WOS:000176075500021 (26) - scopus: 2-s2.0-0037188560 (26)
11573/255939 - 2002 -
Quenching of vibrationally excited CO(ν=2) molecules by ultra-cold collisions with 4He atoms Bodo, Enrico; Gianturco, Francesco Antonio; A., Dalgarno - 01a Articolo in rivista
paper: CHEMICAL PHYSICS LETTERS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 127-130 - issn: 0009-2614 - wos: WOS:000173918400019 (22) - scopus: 2-s2.0-0037070130 (22)
11573/129532 - 2002 -
F+D-2 reaction at ultracold temperatures Bodo, Enrico; Gianturco, Francesco Antonio; Dalgarno, A. - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 9222-9227 - issn: 0021-9606 - wos: WOS:000175487300011 (100) - scopus: 2-s2.0-0036607089 (103)
11573/129531 - 2002 -
Rotational and vibrational excitation of CO molecules by collisions with He-4 atoms Cecchi Pestellini, C; Bodo, Enrico; Balakrishnan, N; Dalgarno, A. - 01a Articolo in rivista
paper: THE ASTROPHYSICAL JOURNAL (Bristol: IOP Publishing
Chicago: Published by the University of Chicago Press for the American Astronomical Society) pp. 1015-1020 - issn: 0004-637X - wos: WOS:000175830800037 (51) - scopus: 2-s2.0-0141522433 (52)
11573/253972 - 2002 -
Photoexcitation of LiH2+ from selected initial states: a time-dependent model M., Satta; Bodo, Enrico; R., Martinazzo; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 177-186 - issn: 0021-9606 - wos: WOS:000176275700024 (4) - scopus: 2-s2.0-0036638992 (2)
11573/1659669 - 2001 -
Reactive behavior of the [LiH2]+ system I. Evaluation of the lower-lying electronic potentials for the collinear geometries Bodo, E.; Gianturco, F. A.; Martinazzo, R.; Raimondi, M. - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 10986-10993 - issn: 1089-5639 - wos: WOS:000172727000006 (32) - scopus: 2-s2.0-0035857236 (29)
11573/130900 - 2001 -
Computed orientational anisotropy and vibrational couplings for the LiH+H interaction potential Bodo, Enrico; Gianturco, Francesco Antonio; Martinazzo, R; Raimondi, M. - 01a Articolo in rivista
paper: THE EUROPEAN PHYSICAL JOURNAL. D, ATOMIC, MOLECULAR AND OPTICAL PHYSICS (Les Ulis: EDP Sciences.
Springer Verlag Germany) pp. 321-329 - issn: 1434-6060 - wos: WOS:000171300100007 (22) - scopus: 2-s2.0-0035457963 (21)
11573/256409 - 2001 -
Reactive behaviour of the {LiH2}+ system: II. Collision induced dissociation and collinear reaction dynamics of LiH+ + H from quantum time dependent calculations Bodo, Enrico; Gianturco, Francesco Antonio; R., Martinazzo - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 10994-11000 - issn: 1089-5639 - wos: WOS:000172727000007 (26) - scopus: 2-s2.0-0035857228 (30)
11573/256302 - 2001 -
Reactive behaviour of the [LiH2]+ system : I. Evaluation of the lower-lying electronic potentials for the collinear geometries Bodo, Enrico; Gianturco, Francesco Antonio; R., Martinazzo; M., Raimondi - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 10986-10993 - issn: 1089-5639 - wos: WOS:000172727000006 (32) - scopus: 2-s2.0-0035857236 (29)
11573/253971 - 2001 -
Possible reaction paths in the LiH2+ chemistry: a computational analysis of the interaction forces Gianturco, Francesco Antonio; Bodo, Enrico; R., Martinazzo; M., Raimondi - 01a Articolo in rivista
paper: CHEMICAL PHYSICS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 309-321 - issn: 0301-0104 - wos: WOS:000171098200006 (44) - scopus: 2-s2.0-0035885086 (44)
11573/255329 - 2001 -
A multireference valence bond approach to electon excited states R., Martinazzo; A., Famulari; M., Raimondi; Bodo, Enrico; Gianturco, Francesco Antonio - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 2917-2925 - issn: 0021-9606 - wos: WOS:000170278200007 (30) - scopus: 2-s2.0-0035881059 (29)
11573/130903 - 2000 -
Testing intermolecular potentials with scattering experiments: He-CO rotationally inelastic collisions Bodo, Enrico; Gianturco, Francesco Antonio; F., Paesani - 01a Articolo in rivista
paper: ZEITSCHRIFT FÜR PHYSIKALISCHE CHEMIE (Oldenbourg, Munchen) pp. 1013-1034 - issn: 0942-9352 - wos: WOS:000089123000002 (9) - scopus: 2-s2.0-0001147861 (10)
11573/130901 - 2000 -
Spatial energetics of protonated LiH: lower-lying potential energy surfaces from valence bond calculations Bodo, Enrico; Gianturco, Francesco Antonio; R., Martinazzo; A., Forni; A., Famulari; M., Raimondi - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 11972-11982 - issn: 1089-5639 - wos: WOS:000166159900017 (32) - scopus: 2-s2.0-0034506515 (33)
11573/130902 - 2000 -
Testing van der Waals interactions with quantum dynamics: Repulsive anisotropy and well depth in the LiH plus He system Bodo, Enrico; Gianturco, Francesco Antonio; R., Martinazzo; F., Paesani; M., Raimondi - 01a Articolo in rivista
paper: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 11071-11078 - issn: 0021-9606 - wos: WOS:000165841300026 (13) - scopus: 2-s2.0-0034505374 (14)
11573/244540 - 1998 -
Interaction anisotropy and quantum dynamics for vibrationally inelastic collisions of LiH('S) with He('S) Bodo, Enrico; Buonomo, E; Gianturco, Francesco Antonio; Kumar, S; Famulari, A; Raimondi, M; Sironi, M. - 01a Articolo in rivista
paper: CHEMICAL PHYSICS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 315-331 - issn: 0301-0104 - wos: WOS:000076608300008 (10) - scopus: 2-s2.0-0032363536 (5)
11573/130898 - 1998 -
Vibrational heating efficiency of LiH molecules in collision with He atoms Bodo, Enrico; Kumar, S; Gianturco, Francesco Antonio; Famulari, A; Raimondi, M; Sironi, M. - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 9390-9398 - issn: 1089-5639 - wos: WOS:000078514000010 (20) - scopus: 2-s2.0-0001724907 (18)