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Volumn 101, Issue 46, 1997, Pages 8653-8661

Experiments and theory on the thermal decomposition of CHCl3 and the reactions of CCl2

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; ACTIVATION ENERGY; ELECTRONIC STRUCTURE; KRYPTON; MATHEMATICAL MODELS; PYROLYSIS; REACTION KINETICS;

EID: 0031268580     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971723g     Document Type: Article
Times cited : (57)

References (71)
  • 14
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    • Semeluk, G. P.; Bernstein, R. B. J. Am. Chem. Soc. 1954, 76, 3793; 1957, 79, 46.
    • (1957) J. Am. Chem. Soc. , vol.79 , pp. 46
  • 28
    • 0002454535 scopus 로고
    • Barker, J. R., Ed.; JAI: Greenwich, for original references
    • Michael, J. V. in Advances in Chemical Kinetics and Dynamics; Barker, J. R., Ed.; JAI: Greenwich, 1992; Vol. I, p 47 for original references.
    • (1992) Advances in Chemical Kinetics and Dynamics , vol.1 , pp. 47
    • Michael, J.V.1
  • 38
    • 33645319848 scopus 로고
    • Dobbs, K. D.; Dixon, D. A. J. Phys. Chem. 1993, 97, 2085; 1994, 98, 12584.
    • (1994) J. Phys. Chem. , vol.98 , pp. 12584
  • 39
    • 4143146289 scopus 로고    scopus 로고
    • note
    • -1; i.e., 1.4 kcal mol-1 less than the value calculated at the CCSD(T)/TZ2PF level.
  • 40
  • 41
    • 36749111831 scopus 로고
    • Troe, J. J. Chem. Phys. 1977, 66, 4745; 1977, 4758.
    • (1977) J. Chem. Phys. , pp. 4758
  • 54
    • 4143076835 scopus 로고    scopus 로고
    • MOLPRO is a package of ab initio molecular orbital theory programs written by H.-J. Werner and P. J. Knowles with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. A. Peterson, R. M. Pitzer, A. J. Stone, P. R. Taylor, and R. Lindh
    • MOLPRO is a package of ab initio molecular orbital theory programs written by H.-J. Werner and P. J. Knowles with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. A. Peterson, R. M. Pitzer, A. J. Stone, P. R. Taylor, and R. Lindh.
  • 65
    • 4143052360 scopus 로고    scopus 로고
    • Due to disk space limitations the MP2/6-311-G+(3df,2p) evaluations were replaced with MP2/6-311-G+(2df,2p) evaluations
    • Due to disk space limitations the MP2/6-311-G+(3df,2p) evaluations were replaced with MP2/6-311-G+(2df,2p) evaluations.
  • 66
    • 85087581344 scopus 로고    scopus 로고
    • 2
    • 2.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.