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Volumn 114, Issue 7, 2001, Pages 2875-2878

Second-order Moller-Plesset limit for the barrier to linearity of water

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; FUNCTIONS; GROUND STATE; MOLECULAR VIBRATIONS; QUANTUM THEORY; SPECTROSCOPIC ANALYSIS;

EID: 0035248820     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1346576     Document Type: Article
Times cited : (46)

References (32)
  • 6
    • 0001085232 scopus 로고    scopus 로고
    • edited by P. v. R. Schleyer (Wiley, Chichester, UK)
    • W. Klopper, in Encyclopedia of Computational Chemistry, edited by P. v. R. Schleyer (Wiley, Chichester, UK, 1998), pp. 2351-2375.
    • (1998) Encyclopedia of Computational Chemistry , pp. 2351-2375
    • Klopper, W.1
  • 18
    • 0030803199 scopus 로고    scopus 로고
    • T. Oka, Science 277, 328 (1997).
    • (1997) Science , vol.277 , pp. 328
    • Oka, T.1
  • 22
    • 0005540612 scopus 로고    scopus 로고
    • note
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, 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, 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 No. DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.
  • 27
    • 0005633770 scopus 로고    scopus 로고
    • note
    • h(O) = (4.953,2.253,1.02), respectively. These basis sets are available from the authors upon request.
  • 28
    • 0000123861 scopus 로고    scopus 로고
    • note
    • 2i basis set for H. These basis sets are available from the authors upon request.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.