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Volumn 100, Issue 22, 1996, Pages 9314-9322

Ab initio study of the mechanism for the thermal decomposition of the phenoxy radical

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DECOMPOSITION; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; MOLECULAR STRUCTURE; ORGANIC COMPOUNDS; REACTION KINETICS; THERMAL EFFECTS;

EID: 0030134159     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp953566w     Document Type: Article
Times cited : (114)

References (76)
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    • (1978) Alternate Hydrocarbon Fuies: Combustion and Chemical Kinectis , pp. 3
    • Longwell, J.P.1
  • 4
    • 0001794160 scopus 로고
    • Kochi, J. K., Ed.; Wiley: New York
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    • (1992) , vol.97 , pp. 9173
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    • note
    • MOLPRO is an ab initia program for molecular electronic structure calculations written by Wemer, H.-J. and Knowles, P. J. with contributions from a number of other people.
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    • J. Chem. Phys. 1995, 102, 1689.
    • (1995) J. Chem. Phys. , vol.102 , pp. 1689
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    • 0000751555 scopus 로고
    • The modification of the algorithm of searching the lowest point of the seam of crossing was due to Dunn, K. M. and Morokuma, K. J. Chem. Phys. 1995, 702, 4904.
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    • Dunn, K.1    Morokuma, K.2
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    • 1965, 43, 2658;
    • (1965) , vol.43 , pp. 2658
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    • 1970, 52, 1018.
    • (1970) , vol.52 , pp. 1018


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.