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Volumn 120, Issue 3, 2004, Pages 1203-1207

Ab initio torsional potential and transition frequencies of acetaldehyde

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; EXTRAPOLATION; GROUND STATE; HAMILTONIANS; INFRARED SPECTROSCOPY; MICROWAVES; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; ROTATION;

EID: 10744220163     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1633260     Document Type: Article
Times cited : (54)

References (37)
  • 20
    • 1142278291 scopus 로고    scopus 로고
    • note
    • The (aug-)cc-p(C)VXZ basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Sciences Computing Facility, Environmental and Molecular Science Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, USA and 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 No. DE-AC0676RLO 1830.
  • 24
    • 1142266180 scopus 로고    scopus 로고
    • note
    • The package also contains modified versions of the MOLECULE gaussian integral program of J. Almlöf and P. R. Taylor, the ABACUS integral derivative program written by T. U. Helgaker, H. J. Aa. Jensen, P. Jørgensen and P. R. Taylor, and the PROPS property evaluation integral code of P. R. Taylor.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.