메뉴 건너뛰기




Volumn 118, Issue 4, 2003, Pages 1721-1728

Molecular structure, vibrational frequencies, energetics, and excited states of the HOONO+ ions

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CALCULATIONS; COMPUTER SIMULATION; CONFORMATIONS; ELECTRON ENERGY LEVELS; HYDROGEN BONDS; IONIZATION; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; POSITIVE IONS; POTENTIAL ENERGY; SET THEORY;

EID: 0037460280     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1531661     Document Type: Article
Times cited : (1)

References (30)
  • 16
    • 0012916532 scopus 로고    scopus 로고
    • ACES II, a program product of the Quantum Theory Project, University of Florida; Integral packages included are VMOL (J. Almlöf and P. R. Taylor); VPROPS (P. R. Taylor); ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, J. Olsen, and P. R. Taylor)
    • ACES II, a program product of the Quantum Theory Project, University of Florida, J. F. Stanton, J. Gauss, J. D. Watts et al. Integral packages included are VMOL (J. Almlöf and P. R. Taylor); VPROPS (P. R. Taylor); ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, J. Olsen, and P. R. Taylor).
    • Stanton, J.F.1    Gauss, J.2    Watts, J.D.3
  • 17
    • 0012921456 scopus 로고    scopus 로고
    • Note
    • Basis sets in ACES II 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, WA 99352, 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-AC06-76RLO 1830. Contact David Feller, Karen Schuchardt, or Don Jones for further information.
  • 23
    • 84962534251 scopus 로고
    • edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York)
    • R. J. Bartlett and J. F. Stanton, Reviews of Computational Chemistry, edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York, 1994), Vol. V, pp. 65-169.
    • (1994) Reviews of Computational Chemistry , vol.5 , pp. 65-169
    • Bartlett, R.J.1    Stanton, J.F.2
  • 25


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.