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Volumn 18, Issue 13, 1997, Pages 1682-1693

Accurate molecular electrostatic potentials based on modified PRDDO/M wave functions: II. Electrostatic potentials inside the molecular van der Waals envelope

Author keywords

Electrostatic; PESP; Potential; PRDDO

Indexed keywords


EID: 84962473721     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199710)18:13<1682::AID-JCC10>3.0.CO;2-K     Document Type: Article
Times cited : (2)

References (38)
  • 12
    • 84962458796 scopus 로고
    • Computer Assisted Drug Design, E. C. Olson and R. E. Christoffersen, Eds., American Chemical Society, Washington, DC
    • H. Weinstein, R. Osman, and J. P. Green, In Computer Assisted Drug Design, E. C. Olson and R. E. Christoffersen, Eds., ACS Symposium Scries 112, American Chemical Society, Washington, DC, 1979.
    • (1979) ACS Symposium Scries 112
    • Weinstein, H.1    Osman, R.2    Green, J.P.3
  • 37
    • 84893169025 scopus 로고
    • University of California, Berkeley, CA
    • Original program: M. Dupuis, D. Spangler, and J. J. Wendoloski, Program QG01, National Resource for Computations in Chemistry, Software Catalog, University of California, Berkeley, CA (1980). This version: M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. J. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery, J. Comput. Chem., 14, 1347 (1993).
    • (1980) Program QG01, National Resource for Computations in Chemistry, Software Catalog
    • Dupuis, M.1    Spangler, D.2    Wendoloski, J.J.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.