KFU. Card publication. Density functional theory calculations on azobenzene derivatives: A comparative study of functional group effect

KAZAN
FEDERAL UNIVERSITY

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DENSITY FUNCTIONAL THEORY CALCULATIONS ON AZOBENZENE DERIVATIVES: A COMPARATIVE STUDY OF FUNCTIONAL GROUP EFFECT

Form of presentation

Articles in international journals and collections

Year of publication

2015

Authors, employees of KFU

Gumarova Irina Ivanovna, author

Tayurskiy Dmitriy Albertovich, author

Other authors

Bardeau Jean-Fransois net, author

Minisini Benoit net, author

Authors, postgraduates KFU

Piyanzina Irina Ivanovna, postgraduate kfu

Bibliographic description in the original language

Piyanzina, I. Density functional theory calculations on azobenzene derivatives: A comparative study of functional group effect / I. Piyanzina, B. Minisini, D. Tayurskii and J-F. Bardeau// J. Mol. Model. -2015. - V 21, Is.2.

Keywords

Azobenzene derivatives, Cis-Trans, Den- sity functional theory, Dipole moment, Polarizability, Homo-Lumo

The name of the journal

Journal of molecular modeling

On-line resource for training course

URL

http://link.springer.com/article/10.1007/s00894-014-2540-x

Please use this ID to quote from or refer to the card

https://repository.kpfu.ru/eng/?p_id=88067&p_lang=2

Resource files

File name	Size (MB)	Format
azo.Irina.pdf	0,16	pdf	show / download

Full metadata record

Field DC	Value	Language
dc.contributor.author	Gumarova Irina Ivanovna	ru_RU
dc.contributor.author	Tayurskiy Dmitriy Albertovich	ru_RU
dc.contributor.author	Bardeau Jean-Fransois net	ru_RU
dc.contributor.author	Minisini Benoit net	ru_RU
dc.contributor.author	Piyanzina Irina Ivanovna	ru_RU
dc.date.accessioned	2015-01-01T00:00:00Z	ru_RU
dc.date.available	2015-01-01T00:00:00Z	ru_RU
dc.date.issued	2015	ru_RU
dc.identifier.citation	Piyanzina, I. Density functional theory calculations on azobenzene derivatives: A comparative study of functional group effect / I. Piyanzina, B. Minisini, D. Tayurskii and J-F. Bardeau// J. Mol. Model. -2015. - V 21, Is.2.	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=88067&p_lang=2	ru_RU
dc.description.abstract	Journal of molecular modeling	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	Azobenzene derivatives	ru_RU
dc.subject	Cis-Trans	ru_RU
dc.subject	Den- sity functional theory	ru_RU
dc.subject	Dipole moment	ru_RU
dc.subject	Polarizability	ru_RU
dc.subject	Homo-Lumo	ru_RU
dc.title	Density functional theory calculations on azobenzene derivatives: A comparative study of functional group effect	ru_RU
dc.type	Articles in international journals and collections	ru_RU