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Molecular dynamics computation of the work of ion solvation : Comparison of two models of water. / Brodskaya, E. N.; Rusanov, A. I.

в: Molecular Physics, Том 101, № 10, 05.2003, стр. 1495-1500.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Brodskaya, EN & Rusanov, AI 2003, 'Molecular dynamics computation of the work of ion solvation: Comparison of two models of water', Molecular Physics, Том. 101, № 10, стр. 1495-1500. https://doi.org/10.1080/0026897031000094524

APA

Brodskaya, E. N., & Rusanov, A. I. (2003). Molecular dynamics computation of the work of ion solvation: Comparison of two models of water. Molecular Physics, 101(10), 1495-1500. https://doi.org/10.1080/0026897031000094524

Vancouver

Brodskaya EN, Rusanov AI. Molecular dynamics computation of the work of ion solvation: Comparison of two models of water. Molecular Physics. 2003 Май;101(10):1495-1500. https://doi.org/10.1080/0026897031000094524

Author

Brodskaya, E. N. ; Rusanov, A. I. / Molecular dynamics computation of the work of ion solvation : Comparison of two models of water. в: Molecular Physics. 2003 ; Том 101, № 10. стр. 1495-1500.

BibTeX

@article{587906666e7a4844b25dfbfa99910bc8,
title = "Molecular dynamics computation of the work of ion solvation: Comparison of two models of water",
abstract = "Clusters of the TIP4P water model with 125 and 256 molecules and with the K+ or K− ions were simulated by the molecular dynamics method. The radial profiles of local density, energy, normal pressure and molecular orientation were obtained. The work of cluster formation was calculated from the normal pressure profile. The results for the TIP4P and SPC/E model of water are discussed in comparison with each other. A divergence in behaviour of water molecules in the two models was discovered.",
author = "Brodskaya, {E. N.} and Rusanov, {A. I.}",
note = "Funding Information: The authors are grateful for the partial financial support to RFBR (grant Nos 01-03-32334 and 00-15- 97357).",
year = "2003",
month = may,
doi = "10.1080/0026897031000094524",
language = "English",
volume = "101",
pages = "1495--1500",
journal = "Molecular Physics",
issn = "0026-8976",
publisher = "Taylor & Francis",
number = "10",

}

RIS

TY - JOUR

T1 - Molecular dynamics computation of the work of ion solvation

T2 - Comparison of two models of water

AU - Brodskaya, E. N.

AU - Rusanov, A. I.

N1 - Funding Information: The authors are grateful for the partial financial support to RFBR (grant Nos 01-03-32334 and 00-15- 97357).

PY - 2003/5

Y1 - 2003/5

N2 - Clusters of the TIP4P water model with 125 and 256 molecules and with the K+ or K− ions were simulated by the molecular dynamics method. The radial profiles of local density, energy, normal pressure and molecular orientation were obtained. The work of cluster formation was calculated from the normal pressure profile. The results for the TIP4P and SPC/E model of water are discussed in comparison with each other. A divergence in behaviour of water molecules in the two models was discovered.

AB - Clusters of the TIP4P water model with 125 and 256 molecules and with the K+ or K− ions were simulated by the molecular dynamics method. The radial profiles of local density, energy, normal pressure and molecular orientation were obtained. The work of cluster formation was calculated from the normal pressure profile. The results for the TIP4P and SPC/E model of water are discussed in comparison with each other. A divergence in behaviour of water molecules in the two models was discovered.

UR - http://www.scopus.com/inward/record.url?scp=1542377298&partnerID=8YFLogxK

U2 - 10.1080/0026897031000094524

DO - 10.1080/0026897031000094524

M3 - Article

AN - SCOPUS:1542377298

VL - 101

SP - 1495

EP - 1500

JO - Molecular Physics

JF - Molecular Physics

SN - 0026-8976

IS - 10

ER -

ID: 95702460