Molecular vibrations of diatomic and triatomic molecules are always anharmonic. Their characteristic parameters are well known. It is now possible to get easily such experimental informations for polyatomic molecules in peculiar cases. We have recently shown that this is possible in the case of the stretching mode of a diatomic and polar functionnal group, the carbonyl (CO) for instance. So it is now possible to try a theoretical analysis of the structural origin of anharmonicity founded on an electronic quantized rotation. A severe experimental control is described. Many theoretical and practical applications and extensions are derived from this analysis and ascertained with the data available in the littérature.Taboury F. J. The caibo...
A simple model for the effective vibrational hamiltonian of the XH stretching vibrations in H2O, NH3...
$^{[1]}$ M. S. CHILD and L. HALONEN, Advances in Chemical Physics Volume LVII $^{[2]}$ F. IACHELLO a...
Canonical Watson-Crick base pairs and four representative mismatched base pairs have been studied by...
The methods of analysis the strongly coupled vibrations are proposed for a number of molecules of ar...
Author Institution: Division of Pure Chemistry, National Research Council of CanadaThe concept of a ...
This work was supported by the Army Research Office (Durham).Author Institution: Department of Chemi...
Most organic compounds provide vibrational spectra within the CH stretching region, yet the signal i...
C-H and C=O stretching modes are two among many structural and dynamic probes of proteins and peptid...
Author Institution: Department of Chemistry, University of Southern CaliforniaThe broadening of mole...
The research work of Marco Mendolicchio involves the inclusion of anharmonicity effects in the calcu...
The present paper reports main results of a comprehensive study of the structure and vibrational spe...
Author Institution: Department of Physics, Texas Technological UniversityThe theory of vibration-rot...
Author Institution: Department of Chemistry and Biochemistry, Oberlin College, Oberlin, OH 44074; De...
We report calculations on harmonic vibrational frequencies for the carbonyl stretch of a series of k...
1. E. Hirota, Chem. Rev. 92, 141 (1992). 2. Y.-C. Hsu, J. J.-M. Lin, D. Papoušek, and J. -J. Tsai, J...
A simple model for the effective vibrational hamiltonian of the XH stretching vibrations in H2O, NH3...
$^{[1]}$ M. S. CHILD and L. HALONEN, Advances in Chemical Physics Volume LVII $^{[2]}$ F. IACHELLO a...
Canonical Watson-Crick base pairs and four representative mismatched base pairs have been studied by...
The methods of analysis the strongly coupled vibrations are proposed for a number of molecules of ar...
Author Institution: Division of Pure Chemistry, National Research Council of CanadaThe concept of a ...
This work was supported by the Army Research Office (Durham).Author Institution: Department of Chemi...
Most organic compounds provide vibrational spectra within the CH stretching region, yet the signal i...
C-H and C=O stretching modes are two among many structural and dynamic probes of proteins and peptid...
Author Institution: Department of Chemistry, University of Southern CaliforniaThe broadening of mole...
The research work of Marco Mendolicchio involves the inclusion of anharmonicity effects in the calcu...
The present paper reports main results of a comprehensive study of the structure and vibrational spe...
Author Institution: Department of Physics, Texas Technological UniversityThe theory of vibration-rot...
Author Institution: Department of Chemistry and Biochemistry, Oberlin College, Oberlin, OH 44074; De...
We report calculations on harmonic vibrational frequencies for the carbonyl stretch of a series of k...
1. E. Hirota, Chem. Rev. 92, 141 (1992). 2. Y.-C. Hsu, J. J.-M. Lin, D. Papoušek, and J. -J. Tsai, J...
A simple model for the effective vibrational hamiltonian of the XH stretching vibrations in H2O, NH3...
$^{[1]}$ M. S. CHILD and L. HALONEN, Advances in Chemical Physics Volume LVII $^{[2]}$ F. IACHELLO a...
Canonical Watson-Crick base pairs and four representative mismatched base pairs have been studied by...