Standard

Microstructure and dynamics of electrolyte solutions containing polyatomic ions by NMR relaxation and molecular dynamics simulation. / Chizhik, V. I.; Egorov, A. V.; Комолкин, Андрей Владимирович; Vorontsova, A. A.

In: Journal of Molecular Liquids, Vol. 98-99, 01.05.2002, p. 173-182.

Research output: Contribution to journal › Article › peer-review

Harvard

Chizhik, VI, Egorov, AV, Комолкин, АВ & Vorontsova, AA 2002, 'Microstructure and dynamics of electrolyte solutions containing polyatomic ions by NMR relaxation and molecular dynamics simulation', Journal of Molecular Liquids, vol. 98-99, pp. 173-182. https://doi.org/10.1016/S0167-7322(01)00306-3

APA

Chizhik, V. I., Egorov, A. V., Комолкин, А. В., & Vorontsova, A. A. (2002). Microstructure and dynamics of electrolyte solutions containing polyatomic ions by NMR relaxation and molecular dynamics simulation. Journal of Molecular Liquids, 98-99, 173-182. https://doi.org/10.1016/S0167-7322(01)00306-3

Vancouver

Chizhik VI, Egorov AV, Комолкин АВ, Vorontsova AA. Microstructure and dynamics of electrolyte solutions containing polyatomic ions by NMR relaxation and molecular dynamics simulation. Journal of Molecular Liquids. 2002 May 1;98-99:173-182. https://doi.org/10.1016/S0167-7322(01)00306-3

Author

Chizhik, V. I. ; Egorov, A. V. ; Комолкин, Андрей Владимирович ; Vorontsova, A. A. / Microstructure and dynamics of electrolyte solutions containing polyatomic ions by NMR relaxation and molecular dynamics simulation. In: Journal of Molecular Liquids. 2002 ; Vol. 98-99. pp. 173-182.

BibTeX

@article{411fee94ec51416ba5cb0bd10a2d425a,
title = "Microstructure and dynamics of electrolyte solutions containing polyatomic ions by NMR relaxation and molecular dynamics simulation",
abstract = "The NMR relaxation method has been used for determing coordination numbers of oxygen-containing polyatomic ions in diamagnetic aqueous solutions. The results, obtained for 7 ions, make it possible to define the rules which govern the formation of ion hydration shells. Probably the developed model can be used for the estimation of results of quantum-chemical calculations and computer simulations. As an example, the molecular dynamics simulation of the sulfate dianion hydration shell has been analyzed.",
author = "Chizhik, {V. I.} and Egorov, {A. V.} and Комолкин, {Андрей Владимирович} and Vorontsova, {A. A.}",
year = "2002",
month = may,
day = "1",
doi = "10.1016/S0167-7322(01)00306-3",
language = "English",
volume = "98-99",
pages = "173--182",
journal = "Journal of Molecular Liquids",
issn = "0167-7322",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Microstructure and dynamics of electrolyte solutions containing polyatomic ions by NMR relaxation and molecular dynamics simulation

AU - Chizhik, V. I.

AU - Egorov, A. V.

AU - Комолкин, Андрей Владимирович

AU - Vorontsova, A. A.

PY - 2002/5/1

Y1 - 2002/5/1

N2 - The NMR relaxation method has been used for determing coordination numbers of oxygen-containing polyatomic ions in diamagnetic aqueous solutions. The results, obtained for 7 ions, make it possible to define the rules which govern the formation of ion hydration shells. Probably the developed model can be used for the estimation of results of quantum-chemical calculations and computer simulations. As an example, the molecular dynamics simulation of the sulfate dianion hydration shell has been analyzed.

AB - The NMR relaxation method has been used for determing coordination numbers of oxygen-containing polyatomic ions in diamagnetic aqueous solutions. The results, obtained for 7 ions, make it possible to define the rules which govern the formation of ion hydration shells. Probably the developed model can be used for the estimation of results of quantum-chemical calculations and computer simulations. As an example, the molecular dynamics simulation of the sulfate dianion hydration shell has been analyzed.

UR - http://www.scopus.com/inward/record.url?scp=0036569470&partnerID=8YFLogxK

U2 - 10.1016/S0167-7322(01)00306-3

DO - 10.1016/S0167-7322(01)00306-3

M3 - Article

AN - SCOPUS:0036569470

VL - 98-99

SP - 173

EP - 182

JO - Journal of Molecular Liquids

JF - Journal of Molecular Liquids

SN - 0167-7322

ER -

ID: 37036771