메뉴 건너뛰기




Volumn 108, Issue 7, 1998, Pages 2824-2830

A spin-density polarization index

Author keywords

[No Author keywords available]

Indexed keywords


EID: 4243458480     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475673     Document Type: Article
Times cited : (4)

References (33)
  • 9
    • 5544238823 scopus 로고    scopus 로고
    • The density difference index leads to conclusions which are consistent with those obtained previously by visual comparison of density difference plots
    • A semiquantitative measure of the difference between two electron density distributions has recently been introduced [S. K. Worsnop, J. Wang, and R. J. Boyd, J. Chem. Phys. 107, 6693 (1997). The density difference index leads to conclusions which are consistent with those obtained previously by visual comparison of density difference plots.
    • (1997) J. Chem. Phys. , vol.107 , pp. 6693
    • Worsnop, S.K.1    Wang, J.2    Boyd, R.J.3
  • 29
    • 85034296349 scopus 로고    scopus 로고
    • note
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller, Karen Schuchardt, or Don Jones for further information.
  • 30
    • 0000572756 scopus 로고
    • Springer, Heidelberg. The IGLO-III basis set consists of an ( 11s7p2d/6s2p) primitive set contracted to [7s6p2d/4s2p]
    • W. Kutzelnigg, U. Fleischer, and M. Schindler, NMR-Basic Principles and Progress Vol. 23 (Springer, Heidelberg, 1990). The IGLO-III basis set consists of an ( 11s7p2d/6s2p) primitive set contracted to [7s6p2d/4s2p].
    • (1990) NMR-Basic Principles and Progress , vol.23
    • Kutzelnigg, W.1    Fleischer, U.2    Schindler, M.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.