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Volumn 119, Issue 1, 1997, Pages 227-232

Transition state looseness and α-secondary kinetic isotope effects

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; COMPUTER SIMULATION; ISOTOPE LABELING; MOLECULAR DYNAMICS; THEORY; THERMODYNAMICS;

EID: 0001562923     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja962733i     Document Type: Article
Times cited : (55)

References (44)
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    • (b) McLennan, D. J. In Isotopes in organic chemistry; Buncel, E., Lee, C. C., Eds.; Elsevier: New York, 1987; Vol. 7, Chapter 6.
    • (1987) Isotopes in Organic Chemistry , vol.7
    • McLennan, D.J.1
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    • See for example: (a) Westaway, K. C. Can. J. Chem. 1978, 56, 2691-2699. (b) Westaway, K. C.; Ali, S. F. Can. J. Chem. 1979, 57, 1089-1097. (c) Westaway, K. C.; Ali, S. F. Can. J. Chem. 1979, 57, 1354-1367. (d) Westaway, K. C.; Waszczylo, Z. Can. J. Chem. 1982, 60, 2500-2520. (e) Fang, Y.; Westaway, K. C. Can. J. Chem. 1991, 69, 1017-1021. (f) Westaway, K. C. Can. J. Chem. 1993, 71, 2084-2094.
    • (1978) Can. J. Chem. , vol.56 , pp. 2691-2699
  • 15
    • 0344773452 scopus 로고
    • See for example: (a) Westaway, K. C. Can. J. Chem. 1978, 56, 2691-2699. (b) Westaway, K. C.; Ali, S. F. Can. J. Chem. 1979, 57, 1089-1097. (c) Westaway, K. C.; Ali, S. F. Can. J. Chem. 1979, 57, 1354-1367. (d) Westaway, K. C.; Waszczylo, Z. Can. J. Chem. 1982, 60, 2500-2520. (e) Fang, Y.; Westaway, K. C. Can. J. Chem. 1991, 69, 1017-1021. (f) Westaway, K. C. Can. J. Chem. 1993, 71, 2084-2094.
    • (1979) Can. J. Chem. , vol.57 , pp. 1089-1097
    • Westaway, K.C.1    Ali, S.F.2
  • 16
    • 0001106505 scopus 로고
    • See for example: (a) Westaway, K. C. Can. J. Chem. 1978, 56, 2691-2699. (b) Westaway, K. C.; Ali, S. F. Can. J. Chem. 1979, 57, 1089-1097. (c) Westaway, K. C.; Ali, S. F. Can. J. Chem. 1979, 57, 1354-1367. (d) Westaway, K. C.; Waszczylo, Z. Can. J. Chem. 1982, 60, 2500-2520. (e) Fang, Y.; Westaway, K. C. Can. J. Chem. 1991, 69, 1017-1021. (f) Westaway, K. C. Can. J. Chem. 1993, 71, 2084-2094.
    • (1979) Can. J. Chem. , vol.57 , pp. 1354-1367
    • Westaway, K.C.1    Ali, S.F.2
  • 17
    • 0001613157 scopus 로고
    • See for example: (a) Westaway, K. C. Can. J. Chem. 1978, 56, 2691-2699. (b) Westaway, K. C.; Ali, S. F. Can. J. Chem. 1979, 57, 1089-1097. (c) Westaway, K. C.; Ali, S. F. Can. J. Chem. 1979, 57, 1354-1367. (d) Westaway, K. C.; Waszczylo, Z. Can. J. Chem. 1982, 60, 2500-2520. (e) Fang, Y.; Westaway, K. C. Can. J. Chem. 1991, 69, 1017-1021. (f) Westaway, K. C. Can. J. Chem. 1993, 71, 2084-2094.
    • (1982) Can. J. Chem. , vol.60 , pp. 2500-2520
    • Westaway, K.C.1    Waszczylo, Z.2
  • 18
    • 1842311002 scopus 로고
    • See for example: (a) Westaway, K. C. Can. J. Chem. 1978, 56, 2691-2699. (b) Westaway, K. C.; Ali, S. F. Can. J. Chem. 1979, 57, 1089-1097. (c) Westaway, K. C.; Ali, S. F. Can. J. Chem. 1979, 57, 1354-1367. (d) Westaway, K. C.; Waszczylo, Z. Can. J. Chem. 1982, 60, 2500-2520. (e) Fang, Y.; Westaway, K. C. Can. J. Chem. 1991, 69, 1017-1021. (f) Westaway, K. C. Can. J. Chem. 1993, 71, 2084-2094.
    • (1991) Can. J. Chem. , vol.69 , pp. 1017-1021
    • Fang, Y.1    Westaway, K.C.2
  • 19
    • 0001116229 scopus 로고
    • See for example: (a) Westaway, K. C. Can. J. Chem. 1978, 56, 2691-2699. (b) Westaway, K. C.; Ali, S. F. Can. J. Chem. 1979, 57, 1089-1097. (c) Westaway, K. C.; Ali, S. F. Can. J. Chem. 1979, 57, 1354-1367. (d) Westaway, K. C.; Waszczylo, Z. Can. J. Chem. 1982, 60, 2500-2520. (e) Fang, Y.; Westaway, K. C. Can. J. Chem. 1991, 69, 1017-1021. (f) Westaway, K. C. Can. J. Chem. 1993, 71, 2084-2094.
    • (1993) Can. J. Chem. , vol.71 , pp. 2084-2094
    • Westaway, K.C.1
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    • note
    • The cross-interaction constant is an experimentally determined parameter (related to the Hammett and Brønsted parameters) reflecting the effect of a substituent in one reactant on a selectivity parameter for another reactant. The magnitude of these interaction constants represents the intensity of interaction between two substituents through the two reaction centers in the TS, and is inversely proportional to the distance between them.


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