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Water model
Known as:
Explicit solvation
, Explicit water model
, Simple point charge
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In computational chemistry, a water model is used to simulate and thermodynamically calculate water clusters, liquid water, and aqueous solutions…
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Related topics
Related topics
28 relations
Abalone
Assisted Model Building with Energy Refinement (AMBER)
Biochemical and Organic Simulation System
CHARMM
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Broader (1)
Computational chemistry
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2015
2015
(2015). Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD3CN treated with a parallel multi-state EVB model
D. Glowacki
,
A. Orr-Ewing
,
J. Harvey
2015
Corpus ID: 1210888
We describe a parallelized linear-scaling computational framework developed to implement arbitrarily large multi-state empirical…
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2008
2008
Antibacterial activity of solvent fractions of crude water decoction of apical twigs and latex of Calotropis procera (Ait.) R. Br.
Farzin M. Parabia
,
I. L. Kothari
,
M. Parabia
2008
Corpus ID: 86011106
Water decoction of Calotropis procera (Ait.) R.Br. is reported as a purulent wound healer in Indian System of Medicine — Ayurveda…
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2005
2005
Using MCDA methods THOR in an application for outranking the ballast water management options
Carlos Francisco Simões Gomes
2005
Corpus ID: 55791647
The Multicriteria Analysis Methodology has been developed in order to support and guide decision-makers in the evaluation and…
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2004
2004
Recharge mechanism of near‐equatorial hydrogen on Mars: Atmospheric redistribution or sub‐surface aquifer
W. Feldman
,
J. Head
,
+6 authors
D. Vaniman
2004
Corpus ID: 5474165
The geographical distribution of water‐equivalent‐hydrogen (WEH) near the equator of Mars was compared with the topography and…
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2003
2003
Real-time simulation of water surface
V. Belyaev
2003
Corpus ID: 14367173
The paper is devoted to efficient algorithms for computer simulation of water surface with waves. The water surface is a usual…
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Highly Cited
1992
Highly Cited
1992
Measurement of the ν8 intermolecular vibration of (D2O)2 by tunable far infrared laser spectroscopy
N. Pugliano
,
R. Saykally
1992
Corpus ID: 16558606
The first accurate measurement of an intermolecular vibration of the water dimer is reported. Five vibration–rotation‐tunneling…
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1990
1990
Effects of rice-soil puddling on water percolation.
T. Adachi
1990
Corpus ID: 128114471
1989
1989
Taxonomy and biostratigraphy of new and emended species of Cenozoic deep-water agglutinated foraminifera from the Labrador and North Seas
F. Gradstein
,
M. Kaminski
1989
Corpus ID: 129504681
Deep marine, fine grained sedimentary strata of Maastrichtian through Miocene age in the Labrador and North Sea sedimentary…
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1986
1986
Kinetics of ethanol-water pulping and pulp properties of Eucalyptus globulus lab.
H. Pereira
,
M. Oliveira
,
I. Miranda
1986
Corpus ID: 98992235
1978
1978
Grapefruit response to variable salinity in irrigation water and soil
H. Bielorai
,
J. Shalhevet
,
Y. Levy
Irrigation science
1978
Corpus ID: 12291705
SummaryResults are reported from a long-term field experiment designed to determine the effect of irrigation water salinity on…
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