KFU. Card publication. Structure, solvation, and dynamics of Mg2+, Ca2+, Sr2+, and Ba2+ complexes with 3-hydroxyflavone and perchlorate anion in acetonitrile medium: A molecular dynamics simulation study

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STRUCTURE, SOLVATION, AND DYNAMICS OF MG2+, CA2+, SR2+, AND BA2+ COMPLEXES WITH 3-HYDROXYFLAVONE AND PERCHLORATE ANION IN ACETONITRILE MEDIUM: A MOLECULAR DYNAMICS SIMULATION STUDY

Form of presentation

Articles in international journals and collections

Year of publication

2014

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Authors, employees of KFU

Ageenko Vera Nikolaevna, author

Bibliographic description in the original language

Agieienko, V. N.: Structure, solvation, and dynamics of Mg2+, Ca2+, Sr2+, and Ba2+ complexes with 3-hydroxyflavone and perchlorate anion in acetonitrile medium: A molecular dynamics simulation study / Agieienko, V. N., Kolesnik, Y. V., Kalugin, O. N. // J. Chem. Phys. - 2014. - Vol. 140. - P. 194501 (1-15).

Keywords

3-hydroxyflavone, magnesium perchlorate, calcium perchlorate, strontium perchlorate, barium perchlorate, solvation, complex formation, molecular dynamics simulations hydrogen bonds,

The name of the journal

Journal of Chemical Physics

URL

http://scitation.aip.org/deliver/fulltext/aip/journal/jcp/140/19/1.4875591.pdf;jsessionid=lAF2tyM2kAjivZv07eby5Ult.x-aip-live-03?itemId=/content/aip/journal/jcp/140/19/10.1063/1.4875591&mimeType=pdf&containerItemId=content/aip/journal/jcp

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

https://repository.kpfu.ru/eng/?p_id=138058&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Ageenko Vera Nikolaevna	ru_RU
dc.date.accessioned	2014-01-01T00:00:00Z	ru_RU
dc.date.available	2014-01-01T00:00:00Z	ru_RU
dc.date.issued	2014	ru_RU
dc.identifier.citation	Agieienko, V. N.: Structure, solvation, and dynamics of Mg2+, Ca2+, Sr2+, and Ba2+ complexes with 3-hydroxyflavone and perchlorate anion in acetonitrile medium: A molecular dynamics simulation study / Agieienko, V. N., Kolesnik, Y. V., Kalugin, O. N. // J. Chem. Phys. - 2014. - Vol. 140. - P. 194501 (1-15).	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=138058&p_lang=2	ru_RU
dc.description.abstract	Journal of Chemical Physics	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	3-hydroxyflavone	ru_RU
dc.subject	magnesium perchlorate	ru_RU
dc.subject	calcium perchlorate	ru_RU
dc.subject	strontium perchlorate	ru_RU
dc.subject	barium perchlorate	ru_RU
dc.subject	solvation	ru_RU
dc.subject	complex formation	ru_RU
dc.subject	molecular dynamics simulations hydrogen bonds	ru_RU
dc.subject		ru_RU
dc.title	Structure, solvation, and dynamics of Mg2+, Ca2+, Sr2+, and Ba2+ complexes with 3-hydroxyflavone and perchlorate anion in acetonitrile medium: A molecular dynamics simulation study	ru_RU
dc.type	Articles in international journals and collections	ru_RU