Gaston Berthier
École Normale Supérieure
55 Papers
839 Citations
Gaston Berthier is an academic researcher from École Normale Supérieure. The author has contributed to research in topics: Ab initio & Molecular orbital. The author has an hindex of 19, co-authored 55 publications.
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Papers
Theoretical study of trans-cis photoisomerism in polymethine cyanines
TL;DR: In this article, the trans-cis photoisomerism of polymethine dyes has been interpreted from an intramolecular point of view using different and rather inconsistent models of the potential energy surfaces.
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Neutron Inelastic Scattering, Optical Spectroscopies and Scaled Quantum Mechanical Force Fields for Analyzing the Vibrational Dynamics of Pyrimidine Nucleic Acid Bases: 3. Cytosine
A. Aamouche,Mahmoud Ghomi,L. Grajcar,M. H. Baron,F. Romain,Vladimír Baumruk,J. Stepanek,C. Coulombeau,H. Jobic,Gaston Berthier +9 more
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Intramolecular charge transfer and trans-cis isomerization of the DCM styrene dye in polar solvents. A CS INDO MRCI study
Sylvie Marguet,J.-C. Mialocq,Philippe Millié,Gaston Berthier,Fabio Momicchioli +4 more
- 01 Mar 1992
TL;DR: In this paper, the solvent-induced changes of trans-cis isomerization efficiency and electronic structure of the excited state of the DCM dye have been considered by means of CS INDO MRCI calculations.
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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
TL;DR: In this article, the ground state energies and geometries have been determined at the DFT/B3LYP level for different model compounds such as ribose, dimethyl phosphate, uridine, cytidine, 3‘-methyl phosphate−uridine, and 5‘ -methyl phosphate −uridine as a function of the most prominent conformations adopted by each of them.
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Interprétation structurale des spectres hyperfins des radicaux libres et méthodes de chimie quantique
TL;DR: In this paper, the authors evaluate constantes de couplage hyperfin electron-noyaux a partir des fonctions d'ondes moleculaires and discutee sur l'exemple des radicaux libres nitroxydes.
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