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Volumn 112, Issue 6, 2000, Pages 2598-2604

Direct calculation of anharmonic vibrational states of polyatomic molecules using potential energy surfaces calculated from density functional theory

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000011501     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480833     Document Type: Article
Times cited : (88)

References (50)
  • 36
    • 0004254735 scopus 로고    scopus 로고
    • Schrodinger, Inc., Portland, Oregon
    • JAGUAR 3.5(Schrodinger, Inc., Portland, Oregon, 1998).
    • (1998) JAGUAR 3.5
  • 40
    • 85001588504 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 Institue for the U.S. Department of Energy under Contract No. DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.