Molecular Dynamics Simulations of the Liquid/Vapor Interface of SPC/E Water
Тип публикации: Journal Article
Дата публикации: 1996-01-01
SJR: 1.641
CiteScore: —
Impact factor: —
ISSN: 00223654, 15415740
Physical and Theoretical Chemistry
General Engineering
Краткое описание
Molecular dynamics computer simulations have been used to explore the structural and dynamical properties of water's liquid/vapor interface using the simple extended point charge (SPC/E) model. Comparisons to the existing experimental and simulation data suggest that the SPC/E potential energy function provides a semiquantitative description of this interface. The orientation of H2O molecules at the interface is found to be bimodal in nature. The self-diffusion constant of water is calculated to be larger at the surface than in the bulk.
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Метрики
264
Всего цитирований:
264
Цитирований c 2025:
5
(1.89%)
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ГОСТ
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Taylor R. S., Dang L. X., Garrett B. C. Molecular Dynamics Simulations of the Liquid/Vapor Interface of SPC/E Water // The Journal of Physical Chemistry. 1996. Vol. 100. No. 28. pp. 11720-11725.
ГОСТ со всеми авторами (до 50)
Скопировать
Taylor R. S., Dang L. X., Garrett B. C. Molecular Dynamics Simulations of the Liquid/Vapor Interface of SPC/E Water // The Journal of Physical Chemistry. 1996. Vol. 100. No. 28. pp. 11720-11725.
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RIS
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TY - JOUR
DO - 10.1021/jp960615b
UR - https://doi.org/10.1021/jp960615b
TI - Molecular Dynamics Simulations of the Liquid/Vapor Interface of SPC/E Water
T2 - The Journal of Physical Chemistry
AU - Taylor, Ramona S
AU - Dang, Liem X
AU - Garrett, Bruce C
PY - 1996
DA - 1996/01/01
PB - American Chemical Society (ACS)
SP - 11720-11725
IS - 28
VL - 100
SN - 0022-3654
SN - 1541-5740
ER -
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BibTex (до 50 авторов)
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@article{1996_Taylor,
author = {Ramona S Taylor and Liem X Dang and Bruce C Garrett},
title = {Molecular Dynamics Simulations of the Liquid/Vapor Interface of SPC/E Water},
journal = {The Journal of Physical Chemistry},
year = {1996},
volume = {100},
publisher = {American Chemical Society (ACS)},
month = {jan},
url = {https://doi.org/10.1021/jp960615b},
number = {28},
pages = {11720--11725},
doi = {10.1021/jp960615b}
}
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MLA
Скопировать
Taylor, Ramona S., et al. “Molecular Dynamics Simulations of the Liquid/Vapor Interface of SPC/E Water.” The Journal of Physical Chemistry, vol. 100, no. 28, Jan. 1996, pp. 11720-11725. https://doi.org/10.1021/jp960615b.
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