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Volumn 7, Issue 15, 2005, Pages 2881-2893

Accurate ab initio determination of spectroscopic and thermochemical properties of mono- and dichlorocarbenes

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINATED HYDROCARBON; DICHLOROCARBENE;

EID: 23844535432     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b506790a     Document Type: Article
Times cited : (44)

References (152)
  • 95
    • 0004073319 scopus 로고
    • PSITECH, Watkinsville, GA
    • C. L. Janssen et al, PSI 2.0.8, PSITECH, Watkinsville, GA, 1994.
    • (1994) PSI 2.0.8
    • Janssen, C.L.1
  • 117
    • 33645369828 scopus 로고    scopus 로고
    • note
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 02/25/04, 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 multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.
  • 136
    • 33645356560 scopus 로고    scopus 로고
    • note
    • INTDER is a general program developed by Wesley D. Allen and co-workers which performs various vibrational analyses and higher-order nonlinear transformations among force field representations.
  • 140
    • 33645373171 scopus 로고    scopus 로고
    • note
    • See footnote a of Table 2 for the definition of terms denoted by symbol δ.
  • 142
    • 33645372157 scopus 로고    scopus 로고
    • personal communication
    • (b) W. D. Allen, personal communication.
    • Allen, W.D.1
  • 144
    • 33645356829 scopus 로고    scopus 로고
    • note
    • 0 is defined in these publications by the following equation: (Equation Presented)
  • 148
    • 33645356331 scopus 로고    scopus 로고
    • (c) http://webbook.nist.gov/chemistry/.
  • 151
    • 0003652163 scopus 로고
    • ed. N. G. Adams and L. M. Babcock, JAI Press, Greenwich, CT
    • J. J. Grabowski, in Advances in Gas Phase Ion Chemistry, ed. N. G. Adams and L. M. Babcock, JAI Press, Greenwich, CT, 1992, vol. 1.
    • (1992) Advances in Gas Phase Ion Chemistry , vol.1
    • Grabowski, J.J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.