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Volumn 110, Issue 1, 2006, Pages 281-290

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

Author keywords

[No Author keywords available]

Indexed keywords

GAS-PHASE INDIUM COMPOUNDS; HIGH-LEVEL COUPLED-CLUSTER CALCULATIONS; THERMOCHEMISTRY; THERMODYNAMIC PARAMETERS;

EID: 31144468723     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp058195q     Document Type: Article
Times cited : (9)

References (64)
  • 13
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    • Thermochemistry and kinetics of gas-phase reactions relevant to the CVD of coatings: New data for process models
    • Symposium, 30 Nov.-2 Dec. , Boston, MA
    • Allendorf, M. D.; Melius, C. F.; McDaniel, A. H. Thermochemistry and kinetics of gas-phase reactions relevant to the CVD of coatings: new data for process models. Properties and Processing of Vapor-Deposited Coatings. Symposium, 30 Nov.-2 Dec. 1998, Boston, MA, 1999.
    • (1998) Properties and Processing of Vapor-deposited Coatings
    • Allendorf, M.D.1    Melius, C.F.2    McDaniel, A.H.3
  • 21
    • 84858526448 scopus 로고    scopus 로고
    • www.ca.sandia.gov/HiTempThermo/index.html.
  • 27
    • 0002045047 scopus 로고
    • Thermochemistry of hydrocarbon intermediates in combustion: Application of the BAC-MP4 methodol
    • Bulusu, S. N., Ed.; Kluwer Academic Publishers: Dorderecht, The Netherlands
    • Melius, C. F. Thermochemistry of Hydrocarbon Intermediates in Combustion: Application of the BAC-MP4 Methodol. 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
  • 32
    • 31144442076 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 the 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.
  • 43
    • 31144462054 scopus 로고
    • U.S. Patent 4959257
    • Mukherjee, A. U.S. Patent 4959257, 1990.
    • (1990)
    • Mukherjee, A.1
  • 47
    • 31144443384 scopus 로고    scopus 로고
    • Reaction Design, San Diego, CA
    • Reaction Design, San Diego, CA.
  • 53
    • 31144433509 scopus 로고    scopus 로고
    • note
    • t8(X) means the enthalpy calculated for molecule X using the coefficients of Table 8 of ref 15).
  • 61
    • 31144476045 scopus 로고    scopus 로고
    • note
    • 4) = 12.45 kcal/mol, from ref 11.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.