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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
Neutron Inelastic Scattering, Optical Spectroscopies and Scaled Quantum Mechanical Force Fields for Analyzing the Vibrational Dynamics of Pyrimidine Nucleic Acid Bases:  3. Cytosine
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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

Aamouche, A ; Ghomi, M ; Grajcar, L ; Baron, M. H ; Romain, F ; Baumruk, V ; Stepanek, J ; Coulombeau, C ; Jobic, H ; Berthier, G

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1997-12, Vol.101 (51), p.10063-10074 [Periódico revisado por pares]

American Chemical Society

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Shortcomings in computational chemistry
Shortcomings in computational chemistry
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Shortcomings in computational chemistry

Berthier, G. ; Defranceschi, M. ; Le Bris, C.

International journal of quantum chemistry, 2003, Vol.93 (3), p.156-165 [Periódico revisado por pares]

New York: Wiley Subscription Services, Inc., A Wiley Company

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3
Simulation of ab initio results for palladium and rhodium clusters by tight-binding calculations
Simulation of ab initio results for palladium and rhodium clusters by tight-binding calculations
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Simulation of ab initio results for palladium and rhodium clusters by tight-binding calculations

Berthier, G. ; Defranceschi, M. ; Montagnani, R. ; Salvetti, O.

International journal of quantum chemistry, 2001, Vol.82 (1), p.26-33 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

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4
Tetrahydrofuran analogues with silicon and sulphur atoms
Tetrahydrofuran analogues with silicon and sulphur atoms
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Tetrahydrofuran analogues with silicon and sulphur atoms

Berthier, G. ; Cadioli, B. ; Gallinella, E.

Theoretical chemistry accounts, 2000-07, Vol.104 (3-4), p.223-225 [Periódico revisado por pares]

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5
On the electronic structure and spectroscopy of the ScN molecule
On the electronic structure and spectroscopy of the ScN molecule
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On the electronic structure and spectroscopy of the ScN molecule

Daoudi, A. ; Elkhattabi, S. ; Berthier, G. ; Flament, J.P.

Chemical physics, 1998-04, Vol.230 (1), p.31-44 [Periódico revisado por pares]

Elsevier B.V

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6
Effect of molecular environment on the vibrational dynamics of pyrimidine bases as analysed by NIS, optical spectroscopy and quantum mechanical force fields
Effect of molecular environment on the vibrational dynamics of pyrimidine bases as analysed by NIS, optical spectroscopy and quantum mechanical force fields
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Effect of molecular environment on the vibrational dynamics of pyrimidine bases as analysed by NIS, optical spectroscopy and quantum mechanical force fields

Ghomi, M. ; Aamouche, A. ; Cadioli, B. ; Berthier, G. ; Grajcar, L. ; Baron, M.H.

Journal of molecular structure, 1997, Vol.410, p.323-326 [Periódico revisado por pares]

Elsevier B.V

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7
Geometric structure and vibrational spectrum of tetrahydrofuran
Geometric structure and vibrational spectrum of tetrahydrofuran
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Geometric structure and vibrational spectrum of tetrahydrofuran

Cadioli, Beniamino ; Gallinella, Enzo ; Coulombeau, Christian ; Jobic, Herve ; Berthier, Gaston

Journal of physical chemistry (1952), , Vol.97 (30), p.7844-7856 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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8
On the lowest-lying states and electronic structure of the ScN + and ScP + isovalent ions
On the lowest-lying states and electronic structure of the ScN + and ScP + isovalent ions
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On the lowest-lying states and electronic structure of the ScN + and ScP + isovalent ions

Elkhattabi, S. ; Daoudi, A. ; Flament, J.P. ; Berthier, G.

Chemical physics, 1999-03, Vol.241 (3), p.257-274 [Periódico revisado por pares]

Elsevier B.V

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9
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
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
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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

Leulliot, Nicolas ; Ghomi, Mahmoud ; Scalmani, Giovanni ; Berthier, Gaston

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1999-10, Vol.103 (43), p.8716-8724 [Periódico revisado por pares]

American Chemical Society

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10
Intramolecular charge transfer and trans-cis isomerization of the DCM styrene dye in polar solvents. A CS INDO MRCI study
Intramolecular charge transfer and trans-cis isomerization of the DCM styrene dye in polar solvents. A CS INDO MRCI study
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Intramolecular charge transfer and trans-cis isomerization of the DCM styrene dye in polar solvents. A CS INDO MRCI study

Marguet, S. ; Mialocq, J.C. ; Millie, P. ; Berthier, G. ; Momicchioli, F.

Chemical physics, 1992-03, Vol.160 (2), p.265-279 [Periódico revisado por pares]

AMSTERDAM: Elsevier B.V

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