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Physics
Vibronic spectra and structure of exited states of polyatomic molecules
G. N. Tena, T. G. Burovaa, V. I. Baranovb a Saratov State University
b Vernadsky Institute of Geochemistry and Analytical Chemistry of RAS
Abstract:
The methods of determination of molecular model parameters in exited electronic states are considered. Structural-dynamic models polyatomic molecules are developed using a semi-empirical method of hybridized atomic orbitals. It is shown that the electronic-vibrational spectra make it possible to identify the tautomeric forms in different phases states, taking into account the intermolecular interaction.
Keywords:
molecular modeling, electronic-vibrational spectra.
Received: 07.07.2006
Citation:
G. N. Ten, T. G. Burova, V. I. Baranov, “Vibronic spectra and structure of exited states of polyatomic molecules”, Izv. Sarat. Univ. Physics, 6:1 (2006), 41–59
Linking options:
https://www.mathnet.ru/eng/isuph449 https://www.mathnet.ru/eng/isuph/v6/i1/p41
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Abstract page: | 29 | Full-text PDF : | 17 | References: | 14 |
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