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Volumn 59, Issue C, 2010, Pages 213-246

Ab Initio Quantum Mechanical Charge Field Molecular Dynamics—A Nonparametrized First-Principle Approach to Liquids and Solutions

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EID: 84962555898     PISSN: 00653276     EISSN: None     Source Type: Book Series    
DOI: 10.1016/S0065-3276(10)59007-5     Document Type: Chapter
Times cited : (96)

References (81)
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    • Computer Simulation of Liquids
    • M.P. Allen D.J. Tildesley Computer Simulation of Liquids 1990 Oxford Science Publications Oxford
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    • Allen, M.P.1    Tildesley, D.J.2
  • 2
    • 0003527976 scopus 로고
    • Statistical Mechanics
    • D.A. McQuarrie Statistical Mechanics 1976 Harper & Row New York
    • (1976)
    • McQuarrie, D.A.1
  • 11
    • 85120196331 scopus 로고    scopus 로고
    • W. Kutzelnigg G. Maroulis T. Simos Trends and Perspectives in Modern Computational Science 2006 International Science Publishers (VSP) Leiden 23
    • (2006) , pp. 23
    • Kutzelnigg, W.1
  • 22
    • 85120218070 scopus 로고    scopus 로고
    • T.S. Hofer B.R. Randolf B.M. Rode Challenges and Advances in Computational Chemistry and Physics vol. 6 2008 Springer Heidelberg 247 278 (Chapter Molecular Dynamics Simulation Methods including Quantum Effects).
    • (2008) , pp. 247-278
    • Hofer, T.S.1    Randolf, B.R.2    Rode, B.M.3
  • 28
    • 0003569545 scopus 로고
    • Computer Simulation using Particles
    • R. Hockney J.W. Eastwood Computer Simulation using Particles 1988 Taylor & Francis New York
    • (1988)
    • Hockney, R.1    Eastwood, J.W.2
  • 49
    • 0003770889 scopus 로고
    • The Theory of Intermolecular Forces
    • A.J. Stone The Theory of Intermolecular Forces 1995 Oxford University Press Oxford
    • (1995)
    • Stone, A.J.1
  • 72
    • 0003715646 scopus 로고    scopus 로고
    • Ion Properties
    • M. Yizhak Ion Properties 1997 Marcel Dekker, Inc. New York
    • (1997)
    • Yizhak, M.1
  • 76
    • 85120231774 scopus 로고    scopus 로고
    • T.E. Simos Structure and Dynamics of Composite Anions in Aqueous Solution 2007 American Institute of Physcs (AIP) New York
    • (2007)


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.