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Volumn 112, Issue 5, 2000, Pages 2227-2238

Spectroscopic constants of the X̃(1A1), ã(3B1), and Ã(1B1) states of CF2, CCl2, and CBr2 and heats of formation of selected halocarbenes: An ab initio quantum chemical study

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Indexed keywords


EID: 0001511687     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481592     Document Type: Article
Times cited : (92)

References (80)
  • 6
    • 0000988053 scopus 로고
    • and references therein
    • I. Shavitt, Tetrahedron 41, 1531 (1985), and references therein.
    • (1985) Tetrahedron , vol.41 , pp. 1531
    • Shavitt, I.1
  • 36
    • 0002745201 scopus 로고
    • and references therein. The program to compute the perturbative triples corrections has been developed by M. J. O. Deegan and P. J. Knowles (1992)
    • C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992), and references therein. The program to compute the perturbative triples corrections has been developed by M. J. O. Deegan and P. J. Knowles (1992).
    • (1992) Chem. Phys. Lett. , vol.190 , pp. 1
    • Hampel, C.1    Peterson, K.2    Werner, H.-J.3
  • 47
    • 85037495789 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, 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.