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Molecular dynamics simulation of the structure of water in a wide temperature range. / Egorov, A. V.; Komolkin, A. V.; Chizhik, V. I.; Padro, Kh A.; Gvardia, E.

In: Russian Journal of Physical Chemistry A, Vol. 74, No. 10, 01.10.2000, p. 1650-1654.

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

Harvard

Egorov, AV, Komolkin, AV, Chizhik, VI, Padro, KA & Gvardia, E 2000, 'Molecular dynamics simulation of the structure of water in a wide temperature range', Russian Journal of Physical Chemistry A, vol. 74, no. 10, pp. 1650-1654.

APA

Egorov, A. V., Komolkin, A. V., Chizhik, V. I., Padro, K. A., & Gvardia, E. (2000). Molecular dynamics simulation of the structure of water in a wide temperature range. Russian Journal of Physical Chemistry A, 74(10), 1650-1654.

Vancouver

Egorov AV, Komolkin AV, Chizhik VI, Padro KA, Gvardia E. Molecular dynamics simulation of the structure of water in a wide temperature range. Russian Journal of Physical Chemistry A. 2000 Oct 1;74(10):1650-1654.

Author

Egorov, A. V. ; Komolkin, A. V. ; Chizhik, V. I. ; Padro, Kh A. ; Gvardia, E. / Molecular dynamics simulation of the structure of water in a wide temperature range. In: Russian Journal of Physical Chemistry A. 2000 ; Vol. 74, No. 10. pp. 1650-1654.

BibTeX

@article{0c8bcd60a2c94fc7b145e7386956d615,
title = "Molecular dynamics simulation of the structure of water in a wide temperature range",
abstract = "Some properties of water were modeled by the method of molecular dynamics in the temperature range -50-130°C. The calculations were performed for rigid models of water molecules of two types, namely, the SPC and SPC/E three-center models and the ST2 five-center model. Temperature effects on the microstructure of water and mobility of water molecules were considered. The applicability of the models to simulate the microstructure of water in a wide temperature range was estimated.",
author = "Egorov, {A. V.} and Komolkin, {A. V.} and Chizhik, {V. I.} and Padro, {Kh A.} and E. Gvardia",
year = "2000",
month = oct,
day = "1",
language = "English",
volume = "74",
pages = "1650--1654",
journal = "Russian Journal of Physical Chemistry A",
issn = "0036-0244",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "10",

}

RIS

TY - JOUR

T1 - Molecular dynamics simulation of the structure of water in a wide temperature range

AU - Egorov, A. V.

AU - Komolkin, A. V.

AU - Chizhik, V. I.

AU - Padro, Kh A.

AU - Gvardia, E.

PY - 2000/10/1

Y1 - 2000/10/1

N2 - Some properties of water were modeled by the method of molecular dynamics in the temperature range -50-130°C. The calculations were performed for rigid models of water molecules of two types, namely, the SPC and SPC/E three-center models and the ST2 five-center model. Temperature effects on the microstructure of water and mobility of water molecules were considered. The applicability of the models to simulate the microstructure of water in a wide temperature range was estimated.

AB - Some properties of water were modeled by the method of molecular dynamics in the temperature range -50-130°C. The calculations were performed for rigid models of water molecules of two types, namely, the SPC and SPC/E three-center models and the ST2 five-center model. Temperature effects on the microstructure of water and mobility of water molecules were considered. The applicability of the models to simulate the microstructure of water in a wide temperature range was estimated.

UR - http://www.scopus.com/inward/record.url?scp=0034338246&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0034338246

VL - 74

SP - 1650

EP - 1654

JO - Russian Journal of Physical Chemistry A

JF - Russian Journal of Physical Chemistry A

SN - 0036-0244

IS - 10

ER -

ID: 51951973