Ground State Properties of the Nucleic Acid Constituents Studied by Density Functional Calculations. I. Conformational Features of Ribose, Dimethyl Phosphate, Uridine, Cytidine, 5‘... by Leulliot, Nicolas, Ghomi, Mahmoud, Scalmani, Giovanni, Berthier, Gaston

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Chemical reactivity of second-row transition metal clusters from Hückel-type calculations by Berthier, Gaston, Defranceschi, Mireille

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Theoretical study of trans-cis photoisomerism in polymethine cyanines by Momicchioli, Fabio, Baraldi, Ivan, Berthier, Gaston

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Threshold Photoionization Study of Fe(CO)5 versus ab Initio Calculations by Angeli, Celestino, Berthier, Gaston, Rolando, Christian, Sablier, Michel, Alcaraz, Christian, Dutuit, Odile

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Comment on “Assessing the Efficacy of Nonsteroidal Anti-Inflammatory Drugs Through the Quantum Computation of Molecular Ionization Energies” by Bensasson, René V, Berthier, Gaston, Zoote, Vincent

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Geometric structure and vibrational spectrum of tetrahydrofuran by Cadioli, Beniamino, Gallinella, Enzo, Coulombeau, Christian, Jobic, Herve, Berthier, Gaston

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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... by Bensasson, René V., Zoete, Vincent, Berthier, Gaston, Talalay, Paul, Dinkova-Kostova, Albena T.

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Efficacy ranking of triterpenoids as inducers of a cytoprotective enzyme and as inhibitors of a cellular inflammatory response via their electron affinity and their electrophilicit... by Bensasson, René V., Zoete, Vincent, Berthier, Gaston, Talalay, Paul, Dinkova-Kostova, Albena T.

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Mapping the many-electron generalised spin-exchange Hamiltonian to accurate post-HF calculations by Ciofini, Ilaria, Adamo, Carlo, Barone, Vincenzo, Berthier, Gaston, Rassat, André

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Solvation effects on cation–π interactions: a test study involving the quaternary ammonium ion by Adamo, Carlo, Berthier, Gaston, Savinelli, Roger

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Interaction of the Tetramethylammonium Ion with the Cycles of Aromatic Amino Acids beyond the SCF Ab Initio Level by Pullman, Alberte, Berthier, Gaston, Savinelli, Roger

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He I photoelectron spectroscopy of four isotopologues of formic acid: HCOOH, HCOOD, DCOOH and DCOOD by Leach, Sydney, Schwell, Martin, Talbi, Dahbia, Berthier, Gaston, Hottmann, Klaus, Jochims, Hans-Werner, Baumgärtel, Helmut

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Cation π interaction between acetylcholine and the benzene ring by Berthier, Gaston, Savinelli, Roger, Pullman, Alberte

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The Occurrence of Hypsochromic Shifts on Alkyl Substitution: Structure and Color of Methylated Derivatives of Azulene by Pullman, Bernard, Mayot, Marcel, Berthier, Gaston

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Conformational dependence of electronic spectra and zero-field splitting parameters in 2-naphthylphenylcarbene by Parisel, Olivier, Berthier, Gaston, Migirdicyan, Eva

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Eccentric orbitals for sigma free radicals: vinyl and phenyl as test-cases by Berthier, Gaston

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AUTOMATIC COMPUTATION OF LCAO-SCF MOLECULAR ORBITALS FOR NON-SATURATED COMPOUDS by BERTHIER,GASTON

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LCAO Self-Consistent Field Calculations of the π-Electrons Energy Levels and Electronic Structure of Fulvene by Berthier, Gaston

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A scaled force field for tetrahydrofuran and its isotopomers from quantum mechanical calculations and infrared and Raman spectra by Gallinella, Enzo, Cadiolia, Beniamino, Pierre Flament, Jean, Berthier, Gaston

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Nonempirical calculations on the conformation and hyperfine structure of the nitroxide and ketyl groups. Consequences of out-of-plane bending on hyperfine interactions by Ellinger, Yves, Subra, Robert, Rassat, Andre, Douady, Jerome, Berthier, Gaston

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