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.
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