A Molecular-Based Theory for the Thermodynamic Properties of Water.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F01%3A27013096" target="_blank" >RIV/67985858:_____/01:27013096 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
A Molecular-Based Theory for the Thermodynamic Properties of Water.
Original language description
We present Gibbs ensemble Monte Carlo (GEMC) simulations of SCPDP polarizable model for water. Our results seem to be more consistent and accurate than the literature data. Our simulations suggest that GEMC of polarizable models with exact treatment of the polarizable interactions is feasible, though its efficiency is rather low. The application of a newly proposed approximate method to treat the polarizable interactions in Monte Carlo is expected to remedy this deficiency.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2001
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Molecular Physics
ISSN
0026-8976
e-ISSN
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Volume of the periodical
99
Issue of the periodical within the volume
18
Country of publishing house
GB - UNITED KINGDOM
Number of pages
12
Pages from-to
1595-1606
UT code for WoS article
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EID of the result in the Scopus database
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