Structure and conformational dynamics of molecules in the excited electronic states: theory and experiment

The structure of conformational non-rigid molecules in the excited electronic states are investigated by joint theoretical and experimental methods. The theoretical part of work consist of two stages. In first stage the ab initio quantum-chemical calculations are carried out using high level methods...

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Main Authors:	Godunov I.A., Bataev V.A., Maslov D.V., Yakovlev N.N.
Format:	Article
Language:	English
Published:	EDP Sciences 2017-01-01
Series:	EPJ Web of Conferences
Online Access:	http://dx.doi.org/10.1051/epjconf/201713202007

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spelling	doaj-f73a8495d3974b288277b610227dcfba2021-08-02T05:39:00ZengEDP SciencesEPJ Web of Conferences2100-014X2017-01-011320200710.1051/epjconf/201713202007epjconf_spectro2017_02007Structure and conformational dynamics of molecules in the excited electronic states: theory and experimentGodunov I.A.Bataev V.A.Maslov D.V.Yakovlev N.N.The structure of conformational non-rigid molecules in the excited electronic states are investigated by joint theoretical and experimental methods. The theoretical part of work consist of two stages. In first stage the ab initio quantum-chemical calculations are carried out using high level methods. In second stage the vibrational problems of the various dimensions are solved by variational method for vibrations of large amplitude. In experimental part of work the vibronic spectra are investigated: gas-phase absorption and also, fluorescence excitation spectra of jet-cooled molecules. Some examples are considered.http://dx.doi.org/10.1051/epjconf/201713202007
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Godunov I.A. Bataev V.A. Maslov D.V. Yakovlev N.N.
spellingShingle	Godunov I.A. Bataev V.A. Maslov D.V. Yakovlev N.N. Structure and conformational dynamics of molecules in the excited electronic states: theory and experiment EPJ Web of Conferences
author_facet	Godunov I.A. Bataev V.A. Maslov D.V. Yakovlev N.N.
author_sort	Godunov I.A.
title	Structure and conformational dynamics of molecules in the excited electronic states: theory and experiment
title_short	Structure and conformational dynamics of molecules in the excited electronic states: theory and experiment
title_full	Structure and conformational dynamics of molecules in the excited electronic states: theory and experiment
title_fullStr	Structure and conformational dynamics of molecules in the excited electronic states: theory and experiment
title_full_unstemmed	Structure and conformational dynamics of molecules in the excited electronic states: theory and experiment
title_sort	structure and conformational dynamics of molecules in the excited electronic states: theory and experiment
publisher	EDP Sciences
series	EPJ Web of Conferences
issn	2100-014X
publishDate	2017-01-01
description	The structure of conformational non-rigid molecules in the excited electronic states are investigated by joint theoretical and experimental methods. The theoretical part of work consist of two stages. In first stage the ab initio quantum-chemical calculations are carried out using high level methods. In second stage the vibrational problems of the various dimensions are solved by variational method for vibrations of large amplitude. In experimental part of work the vibronic spectra are investigated: gas-phase absorption and also, fluorescence excitation spectra of jet-cooled molecules. Some examples are considered.
url	http://dx.doi.org/10.1051/epjconf/201713202007
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Structure and conformational dynamics of molecules in the excited electronic states: theory and experiment

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