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Ab initio interpretation of sum frequency generation spectra of 4-cyanopyridine adsorbed on Au(1 1 1)

Chemical physics, 2001-03, Vol.265 (1), p.27-46

2001

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Ab initio simulation of photoluminescence: Bi3+ in Y2O3 (S6 site)

Optical materials, 2003-10, Vol.24 (1-2), p.221-230

2003

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SFG experiment and ab initio study of the chemisorption of CN − on low-index platinum surfaces

Surface science, 2006-05, Vol.600 (10), p.2138-2153

2006

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Asymmetric structure for the excited S1 state of 2,2′-bipyridine evidenced by picosecond time-resolved resonance raman experiments and ab initio calculation

International journal of quantum chemistry, 2005, Vol.104 (5), p.794-807

2005

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Compact and accurate valence bond functions with different orbitals for different configurations : application to the two-configuration description of F2

Chemical physics letters, 1992-02, Vol.189 (3), p.259-265

1992

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Asymmetric structure for the excited S1 state of 2,2'-bipyridine evidenced by picosecond time-resolved resonance Raman experiments and ab initio calculation

International journal of quantum chemistry, 2005, Vol.104, p.794-807

2005

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Analysis of a nonlinear optical response of CN − ions adsorbed on metal electrode: tentative interpretation by means of ab initio molecular calculations

Chemical physics, 1999, Vol.240 (1), p.39-50

1999

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Ab initio simulation of photoluminescence: Bi 3+ in Y 2O 3 (S 6 site)

Optical materials, 2003, Vol.24 (1), p.221-230

2003

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Ab initio simulations of structural and radiative properties of laser crystals: Example of LiNbO3:Nd

Optical materials, 2002-02, Vol.19 (1), p.47-58

2002

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Ab initio simulations of structural and radiative properties of laser crystals: example of LiNbO 3:Nd

Optical materials, 2002, Vol.19 (1), p.47-58

2002

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On the electronic structure and spectroscopy of the ScN molecule

Chemical physics, 1998-04, Vol.230 (1), p.31-44

1998

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Vibrational properties of CN − adsorbed on platinum and silver: ab initio MCSCF calculations compared with SFG experiments

Journal of electroanalytical chemistry (Lausanne, Switzerland), 1996-05, Vol.408 (1), p.237-242

1996

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Potential Energy Curves and Electronic Structure of Copper Nitrides CuN and CuN+Versus CuO and CuO

Journal of molecular spectroscopy, 1999-03, Vol.194 (1), p.8-16

1999

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MCSCF-Cl calculations of the CO + ion

Chemical physics letters, 1993-04, Vol.205 (4), p.456-460

1993

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MCSCF calculations on the vibrational properties of CN − adsorbed on platinum

Chemical physics letters, 1995-05, Vol.238 (1), p.193-198

1995

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

Chemical physics, 1999-03, Vol.241 (3), p.257-274

1999

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Ro-vibronic spectrum of the HCSi radical

Chemical physics letters, 1997-03, Vol.267 (1), p.91-97

1997

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Non-empirical spin-orbit calculation of the CH3I ground state

Chemical physics, 1987-11, Vol.118 (1), p.45-55

1987

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Molecular force fields of uracil and thymine, through neutron inelastic scattering experiments and scaled quantum mechanical calculations

Chemical physics, 1996-04, Vol.204 (2-3), p.353-363

1996

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Vibrational frequencies of simple sulfur oxides: ab initio SQM and MCSCF calculations; comparison

Chemical physics, 1992-11, Vol.167 (1), p.53-60

1992

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Comparison between limited CI and valence bond calculations for van der Waals systems: application to the H 2H 2 potentials

Chemical physics letters, 1992, Vol.196 (3), p.377-383

1992

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Compact and accurate valence bond functions with different orbitals for different configurations: application to the two-configuration description of F 2

Chemical physics letters, 1992, Vol.189 (3), p.259-265

1992

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Calculation of dynamic polarizabilities with a multideterminental ket including a dipole-moment factor : extrapolation method and application to Li2, LiH, and CO

Physical review. A, 1991-06, Vol.43 (11), p.5832-5846

1991

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Comparison between limited CI and valence bond calculations for van der Waals systems : application to the H2-H2 potentials

Chemical physics letters, 1992-08, Vol.196 (3-4), p.377-383

1992

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Vibronic contributions to the [formula omitted] absorption band of cyclopentanone. An ab initio SCF-RPA calculation

Journal of molecular structure, 1982, Vol.90, p.351-362

1982

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Ab initio interpretation of sum frequency generation spectra of 4-cyanopyridine adsorbed on Au(1 1 1)

Ab initio simulation of photoluminescence: Bi3+ in Y2O3 (S6 site)

SFG experiment and ab initio study of the chemisorption of CN − on low-index platinum surfaces

Asymmetric structure for the excited S1 state of 2,2′-bipyridine evidenced by picosecond time-resolved resonance raman experiments and ab initio calculation

Compact and accurate valence bond functions with different orbitals for different configurations : application to the two-configuration description of F2

Asymmetric structure for the excited S1 state of 2,2'-bipyridine evidenced by picosecond time-resolved resonance Raman experiments and ab initio calculation

Analysis of a nonlinear optical response of CN − ions adsorbed on metal electrode: tentative interpretation by means of ab initio molecular calculations

Ab initio simulation of photoluminescence: Bi 3+ in Y 2O 3 (S 6 site)

Ab initio simulations of structural and radiative properties of laser crystals: Example of LiNbO3:Nd

Ab initio simulations of structural and radiative properties of laser crystals: example of LiNbO 3:Nd

On the electronic structure and spectroscopy of the ScN molecule

Vibrational properties of CN − adsorbed on platinum and silver: ab initio MCSCF calculations compared with SFG experiments

Potential Energy Curves and Electronic Structure of Copper Nitrides CuN and CuN+Versus CuO and CuO

MCSCF-Cl calculations of the CO + ion

MCSCF calculations on the vibrational properties of CN − adsorbed on platinum

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

Ro-vibronic spectrum of the HCSi radical

Non-empirical spin-orbit calculation of the CH3I ground state

Molecular force fields of uracil and thymine, through neutron inelastic scattering experiments and scaled quantum mechanical calculations

Vibrational frequencies of simple sulfur oxides: ab initio SQM and MCSCF calculations; comparison

Comparison between limited CI and valence bond calculations for van der Waals systems: application to the H 2H 2 potentials

Compact and accurate valence bond functions with different orbitals for different configurations: application to the two-configuration description of F 2

Calculation of dynamic polarizabilities with a multideterminental ket including a dipole-moment factor : extrapolation method and application to Li2, LiH, and CO

Comparison between limited CI and valence bond calculations for van der Waals systems : application to the H2-H2 potentials

Vibronic contributions to the [formula omitted] absorption band of cyclopentanone. An ab initio SCF-RPA calculation

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