Ground State Properties of the Nucleic Acid Constituents Studied by Density Functional Calculations. I. Conformational Features of Ribose, Dimethyl Phosphate, Uridine, Cytidine, 5‘-Methyl Phosphate−Uridine, and 3‘-Methyl Phosphate−Uridine
Leulliot, Nicolas, Ghomi, Mahmoud, Scalmani, Giovanni, Berthier, Gaston
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.10.1999)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.10.1999)
Get full text
Journal Article
Threshold Photoionization Study of Fe(CO)5 versus ab Initio Calculations
Angeli, Celestino, Berthier, Gaston, Rolando, Christian, Sablier, Michel, Alcaraz, Christian, Dutuit, Odile
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.10.1997)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.10.1997)
Get full text
Journal Article
Geometric structure and vibrational spectrum of tetrahydrofuran
Cadioli, Beniamino, Gallinella, Enzo, Coulombeau, Christian, Jobic, Herve, Berthier, Gaston
Published in Journal of physical chemistry (1952) (01.07.1993)
Published in Journal of physical chemistry (1952) (01.07.1993)
Get full text
Journal Article
Comment on “Assessing the Efficacy of Nonsteroidal Anti-Inflammatory Drugs Through the Quantum Computation of Molecular Ionization Energies”
Bensasson, René V, Berthier, Gaston, Zoote, Vincent
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.11.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.11.2009)
Get full text
Journal Article
Potency ranking of triterpenoids as inducers of a cytoprotective enzyme and as inhibitors of a cellular inflammatory response via their electron affinity and their electrophilicity index
Bensasson, René V., Zoete, Vincent, Berthier, Gaston, Talalay, Paul, Dinkova-Kostova, Albena T.
Published in Chemico-biological interactions (30.07.2010)
Published in Chemico-biological interactions (30.07.2010)
Get full text
Journal Article
Efficacy ranking of triterpenoids as inducers of a cytoprotective enzyme and as inhibitors of a cellular inflammatory response via their electron affinity and their electrophilicity index
Bensasson, René V., Zoete, Vincent, Berthier, Gaston, Talalay, Paul, Dinkova-Kostova, Albena T.
Published in Chemico-biological interactions (28.04.2010)
Published in Chemico-biological interactions (28.04.2010)
Get full text
Journal Article
Mapping the many-electron generalised spin-exchange Hamiltonian to accurate post-HF calculations
Ciofini, Ilaria, Adamo, Carlo, Barone, Vincenzo, Berthier, Gaston, Rassat, André
Published in Chemical physics (14.03.2005)
Published in Chemical physics (14.03.2005)
Get full text
Journal Article
Solvation effects on cation–π interactions: a test study involving the quaternary ammonium ion
Adamo, Carlo, Berthier, Gaston, Savinelli, Roger
Published in Theoretical chemistry accounts (01.03.2004)
Published in Theoretical chemistry accounts (01.03.2004)
Get full text
Journal Article
Topological implications of Y-conjugation for electronic transitions of cyanine dyes
Grajcar, Lydie, Berthier, Gaston, Faure, Jean, Fleury, Jean -Pierre
Published in Theoretica Chimica Acta (01.05.1987)
Published in Theoretica Chimica Acta (01.05.1987)
Get full text
Journal Article
Cation π interaction between acetylcholine and the benzene ring
Berthier, Gaston, Savinelli, Roger, Pullman, Alberte
Published in Theoretical chemistry accounts (12.05.2000)
Published in Theoretical chemistry accounts (12.05.2000)
Get full text
Journal Article
A scaled force field for tetrahydrofuran and its isotopomers from quantum mechanical calculations and infrared and Raman spectra
Gallinella, Enzo, Cadiolia, Beniamino, Pierre Flament, Jean, Berthier, Gaston
Published in Journal of molecular structure. Theochem (10.12.1994)
Published in Journal of molecular structure. Theochem (10.12.1994)
Get full text
Journal Article
Structure and stability of spheroalkanes (CH) 10
Rassat, André, Scalmani, Giovanni, Seroussi, Dominique, Berthier, Gaston
Published in Journal of molecular structure. Theochem (28.08.1995)
Published in Journal of molecular structure. Theochem (28.08.1995)
Get full text
Journal Article