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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

  • DOI - Digital Object Identifier

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

  • Czech description

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

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

  • 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

  • EID of the result in the Scopus database