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Volumn 110, Issue 17, 2006, Pages 5919-5928

BAC-MP4 predictions of thermochemistry for gas-phase antimony compounds in the Sb-H-C-O-Cl system

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION ENERGIES; LIGAND SUBSTITUTION; THERMOCHEMISTRY; THERMODYNAMIC PARAMETERS;

EID: 33744474860     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp057467m     Document Type: Article
Times cited : (10)

References (65)
  • 46
    • 33744490505 scopus 로고    scopus 로고
    • note
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, version 12/03/03, 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 multiprogram 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.
  • 52
    • 33744492487 scopus 로고
    • U.S. Patent 4,959,257
    • Mukherjee, A. U.S. Patent 4,959,257, 1990.
    • (1990)
    • Mukherjee, A.1
  • 57
    • 33744497164 scopus 로고    scopus 로고
    • note
    • 3, axis. Any confusion can be clarified by referring to the molecular Cartesian coordinates found in the Supporting Information.
  • 62
    • 33744464391 scopus 로고    scopus 로고
    • Melius, C. F. Lawrence Livermore National Laboratory, Livermore, CA. Unpublished results
    • Melius, C. F. Lawrence Livermore National Laboratory, Livermore, CA. Unpublished results.
  • 65
    • 0002045047 scopus 로고
    • Thermochemistry of hydrocarbon intermediates in combustion: Application of the BAC-MP4 methodology
    • Bulusu, S. N., Ed.; Kluwer Academic Publishers: Dorderecht, The Netherlands
    • Melius, C. F. Thermochemistry of Hydrocarbon Intermediates in Combustion: Application of the BAC-MP4 Methodology. In Chemistry and Physics of Energetic Materials; Bulusu, S. N., Ed.; Kluwer Academic Publishers: Dorderecht, The Netherlands, 1990; Vol. 309, p 21.
    • (1990) Chemistry and Physics of Energetic Materials , vol.309 , pp. 21
    • Melius, C.F.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.