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Volumn 274, Issue 1-2, 2008, Pages 36-43

One force field for predicting multiple thermodynamic properties of liquid and vapor ethylene oxide

Author keywords

Ethylene oxide; Force field; Molecular dynamics; Monte Carlo

Indexed keywords

DYNAMICS; EQUATIONS OF STATE; ETHYLENE; FORECASTING; INSECTICIDES; MECHANICS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; QUANTUM CHEMISTRY; QUANTUM THEORY; SURFACE CHEMISTRY; SURFACE TENSION; THERMAL CONDUCTIVITY; THERMODYNAMICS; VAPORS; VISCOSITY;

EID: 55549143309     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2008.06.021     Document Type: Article
Times cited : (22)

References (24)
  • 1
    • 55549139145 scopus 로고    scopus 로고
    • TEAM is an all-atom force field that is under development in our research group. There are several publications related to one or a few compounds:
    • TEAM is an all-atom force field that is under development in our research group. There are several publications related to one or a few compounds:
  • 5
    • 55549115411 scopus 로고    scopus 로고
    • For more information about the Industrial Fluid Property Simulation Challenge, see http://fluidproperties.org/challenge/4th/announcement.
    • For more information about the Industrial Fluid Property Simulation Challenge, see http://fluidproperties.org/challenge/4th/announcement.
  • 11
    • 55549089355 scopus 로고    scopus 로고
    • NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg, MD, June 2005, http://webbook.nist.gov.
    • NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg, MD, June 2005, http://webbook.nist.gov.
  • 12
    • 55549148831 scopus 로고    scopus 로고
    • DFF (Direct Force Field™) is a software package that can be used to derive parameters from ab initio and empirical data. It is developed and licensed Aeon Technology, Inc., San Diego, CA, USA, 2004.
    • DFF (Direct Force Field™) is a software package that can be used to derive parameters from ab initio and empirical data. It is developed and licensed Aeon Technology, Inc., San Diego, CA, USA, 2004.
  • 14
    • 55549095719 scopus 로고    scopus 로고
    • MCCCS Towhee is a Monte Carlo molecular simulation program. More information is available at http://towhee.sourceforge.net.
    • MCCCS Towhee is a Monte Carlo molecular simulation program. More information is available at http://towhee.sourceforge.net.
  • 18
    • 55549097533 scopus 로고    scopus 로고
    • The experimental data were published by the IFPSC committee and can be found at http://fluidproperties.org/4th-challenge-results.
    • The experimental data were published by the IFPSC committee and can be found at http://fluidproperties.org/4th-challenge-results.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.