Molecular Dynamics Simulations of the Liquid/Vapor Interface of SPC/E Water
Publication type: Journal Article
Publication date: 1996-01-01
SJR: —
CiteScore: —
Impact factor: —
ISSN: 00223654, 15415740
Physical and Theoretical Chemistry
General Engineering
Abstract
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.
Found
Nothing found, try to update filter.
Found
Nothing found, try to update filter.
Top-30
Journals
|
10
20
30
40
50
60
|
|
|
Journal of Chemical Physics
56 publications, 21.21%
|
|
|
Journal of Physical Chemistry B
38 publications, 14.39%
|
|
|
Langmuir
13 publications, 4.92%
|
|
|
Journal of Physical Chemistry C
10 publications, 3.79%
|
|
|
Physical Chemistry Chemical Physics
10 publications, 3.79%
|
|
|
Journal of Physical Chemistry A
5 publications, 1.89%
|
|
|
Chemical Physics Letters
5 publications, 1.89%
|
|
|
Chemical Reviews
5 publications, 1.89%
|
|
|
Journal of Colloid and Interface Science
4 publications, 1.52%
|
|
|
Chemical Physics
4 publications, 1.52%
|
|
|
Journal of Physics Condensed Matter
4 publications, 1.52%
|
|
|
Journal of Molecular Liquids
4 publications, 1.52%
|
|
|
Journal of Chemical Theory and Computation
4 publications, 1.52%
|
|
|
Molecular Physics
4 publications, 1.52%
|
|
|
Applied Surface Science
3 publications, 1.14%
|
|
|
Journal of Physical Chemistry Letters
3 publications, 1.14%
|
|
|
Molecular Simulation
3 publications, 1.14%
|
|
|
Annual Review of Physical Chemistry
3 publications, 1.14%
|
|
|
Journal of Computational Chemistry
2 publications, 0.76%
|
|
|
Biomicrofluidics
2 publications, 0.76%
|
|
|
Physical Review E
2 publications, 0.76%
|
|
|
Atmospheric Chemistry and Physics
2 publications, 0.76%
|
|
|
Fluid Phase Equilibria
2 publications, 0.76%
|
|
|
International Journal of Heat and Mass Transfer
2 publications, 0.76%
|
|
|
Colloids and Surfaces A: Physicochemical and Engineering Aspects
2 publications, 0.76%
|
|
|
Macromolecular Rapid Communications
2 publications, 0.76%
|
|
|
Journal of the American Chemical Society
2 publications, 0.76%
|
|
|
RSC Advances
2 publications, 0.76%
|
|
|
Proceedings of the National Academy of Sciences of the United States of America
2 publications, 0.76%
|
|
|
10
20
30
40
50
60
|
Publishers
|
10
20
30
40
50
60
70
80
90
|
|
|
American Chemical Society (ACS)
82 publications, 31.06%
|
|
|
AIP Publishing
59 publications, 22.35%
|
|
|
Elsevier
48 publications, 18.18%
|
|
|
Royal Society of Chemistry (RSC)
14 publications, 5.3%
|
|
|
Springer Nature
12 publications, 4.55%
|
|
|
Wiley
11 publications, 4.17%
|
|
|
IOP Publishing
7 publications, 2.65%
|
|
|
Taylor & Francis
7 publications, 2.65%
|
|
|
World Scientific
3 publications, 1.14%
|
|
|
Annual Reviews
3 publications, 1.14%
|
|
|
American Physical Society (APS)
2 publications, 0.76%
|
|
|
Copernicus
2 publications, 0.76%
|
|
|
SAGE
2 publications, 0.76%
|
|
|
MDPI
2 publications, 0.76%
|
|
|
Proceedings of the National Academy of Sciences (PNAS)
2 publications, 0.76%
|
|
|
CSIRO Publishing
1 publication, 0.38%
|
|
|
The Royal Society
1 publication, 0.38%
|
|
|
Institute of Electrical and Electronics Engineers (IEEE)
1 publication, 0.38%
|
|
|
Frontiers Media S.A.
1 publication, 0.38%
|
|
|
Research Square Platform LLC
1 publication, 0.38%
|
|
|
10
20
30
40
50
60
70
80
90
|
- We do not take into account publications without a DOI.
- Statistics recalculated weekly.
Are you a researcher?
Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
264
Total citations:
264
Citations from 2024:
14
(5.3%)
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
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.
GOST all authors (up to 50)
Copy
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.
Cite this
RIS
Copy
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 -
Cite this
BibTex (up to 50 authors)
Copy
@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}
}
Cite this
MLA
Copy
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.