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Volumn 94, Issue 1, 1998, Pages 105-119

Explicitly correlated coupled cluster calculations of the dissociation energies and barriers to concerted hydrogen exchange of (HF)n oligomers (n=2, ,)

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EID: 0001173971     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/002689798168394     Document Type: Article
Times cited : (72)

References (66)
  • 25
    • 0031170539 scopus 로고    scopus 로고
    • (b) Loerting, T., Liedl, K. R., and Rode, B. M., 1998, J. Am. Chem. Soc. (in the press)
    • Liedl, K. R., Sekušak, S., Kroemer, R. T., and Rode, B. M., 1997. J. phys. Chem. A, 101:4707 (b) Loerting, T., Liedl, K. R., and Rode, B. M., 1998, J. Am. Chem. Soc. (in the press)
    • (1997) J. phys. Chem. A , vol.101 , pp. 4707
    • Liedl, K.R.1    Sekušak, S.2    Kroemer, R.T.3    Rode, B.M.4
  • 33
    • 0004204999 scopus 로고    scopus 로고
    • Recent Advances in Computational Chemistry
    • Bartlett R.J., (ed), Singapore: World Scientific Publishers
    • Noga, J., Klopper, W., and Kutzelnigg, W., 1997. “ Recent Advances in Computational Chemistry ”. In Recent Advances in Coupled-Cluster Theory, Edited by:Bartlett, R. J., Vol. III, 1–48. Singapore:World Scientific Publishers.
    • (1997) Recent Advances in Coupled-Cluster Theory , vol.3 , pp. 1-48
    • Noga, J.1    Klopper, W.2    Kutzelnigg, W.3
  • 44
    • 85024022055 scopus 로고    scopus 로고
    • The aug-cc-pVXZ basis sets (X = T, Q, 5) 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, PO Box 999, Richland, Washington 99352, USA, and funded by the US Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the US Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller, Karen Schuchardt, or Don Jones for further information
    • The aug-cc-pVXZ basis sets (X = T, Q, 5) 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, PO Box 999, Richland, Washington 99352, USA, and funded by the US Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the US Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller, Karen Schuchardt, or Don Jones for further information
  • 61
    • 0003396304 scopus 로고    scopus 로고
    • New York: Wiley, (in the press). See also Quack, M., and Troe, J., 1981, Theor. Chem. Adv. Pesp., 6B, 199
    • Quack, M., and Troe, J., 1998. Encyclopedia of Computational Chemistry, New York:Wiley. (in the press). See also Quack, M., and Troe, J., 1981, Theor. Chem. Adv. Pesp., 6B, 199
    • (1998) Encyclopedia of Computational Chemistry
    • Quack, M.1    Troe, J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.