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Volumn 106, Issue 12-13, 2008, Pages 1545-1556

Local polarizabilities and dispersion energy coefficients

Author keywords

Intermolecular forces; Organic crystal structure prediction; Polymorphism

Indexed keywords

DYNAMIC RESPONSE; FUNCTIONAL GROUPS;

EID: 52149118937     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970802158270     Document Type: Article
Times cited : (19)

References (24)
  • 6
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    • A.J. Stone, J. Chem. Theory Comput. 1, 1128 (2005).
    • A.J. Stone, J. Chem. Theory Comput. 1, 1128 (2005).
  • 12
    • 0035826588 scopus 로고    scopus 로고
    • M. in het Panhuis, P.L.A. Popelier, R.W. Munn, et al., J. Chem. Phys. 114, 7951 (2001).
    • M. in het Panhuis, P.L.A. Popelier, R.W. Munn, et al., J. Chem. Phys. 114, 7951 (2001).
  • 17
    • 52149084663 scopus 로고    scopus 로고
    • H.-J. Werner, P.J. Knowles, R. Lindh, et al, MOLPRO, version 2002.6, a package of ab initio programs
    • H.-J. Werner, P.J. Knowles, R. Lindh, et al., MOLPRO, version 2002.6, a package of ab initio programs.
  • 18
    • 52149095265 scopus 로고    scopus 로고
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis SetDatabase, Version 02/02/06, as developed distributed by the Molecular Science Computing Facility, Environmental Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, USA, funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact Karen Schuchardt for further information.
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis SetDatabase, Version 02/02/06, as developed distributed by the Molecular Science Computing Facility, Environmental Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, USA, funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact Karen Schuchardt for further information.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.