Quantum-chemical study of electronically excited states of protolytic forms of vanillic acid

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Quantum-chemical study of electronically excited states of protolytic forms of vanillic acid	546 KB	Adobe Acrobat PDF	Read	Download
DOI Доступ к ресурсу на сайте издателя			10.1117/12.2225721

Title: Quantum-chemical study of electronically excited states of protolytic forms of vanillic acid
Creator: Vusovich, Olga V.
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Sokolova, Irina V.
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Vasileva, N. Yu.
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Tchaikovskaya, Olga N.
Date: 2015
DOI: 10.1117/12.2225721
Description: The paper describes an analysis of possible ways of deactivation of electronically excited states of 4-hydroxy- 3-methoxy-benzoic acid (vanillic acid) and its protolytic forms with the use of quantum-chemical methods INDO/S (intermediate neglect of differential overlap with a spectroscopic parameterization) and MEP (molecular electrostatic potential). The ratio of radiative and non-radiative deactivation channels of the electronic excitation energy is established. The rate constants of photophysical processes (internal and intercombination conversions) occurring after the absorption of light in these forms are evaluated. © (2015) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.

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collection(s): Физический факультет
Identifier: смотреть в электронном каталоге НБ ТГУ
Type: статьи в журналах
Source: Proceedings of SPIE. 2015. Vol. 9810 : XII International Conference on Atomic and Molecular Pulsed Lasers, 13–18 September 2015, Tomsk, Russian Federation. P. 98100F-1-98100F-7
Language: eng

Created: 16-12-2016

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Физический факультет Quantum-chemical study of electronically excited states of protolytic forms of vanillic acid