Ab initio calculation of hydrogen abstraction reactions of phenyl radical and p-benzyne

Journal of the American Chemical Society

Volumn 118, Issue 8, 1996, Pages 2113-2114

  Logan, Cameron F ^a   Chen, Peter ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE DERIVATIVE;

ARTICLE; DRUG STRUCTURE; MATHEMATICS; MOLECULAR DYNAMICS;

EID: 0030005931     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja953493u     Document Type: Article

References (22)

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18. A good discussion, with some historical notes, of the valence state and valence promotion energy arguments can be found in the following. Murrell, J N., Kettle, S. F A.; Tedder, J. M. The Chemical Bond, 2nd ed., John Wiley & Sons: Neu York, 1985: pp 247-249. More recently, the concept has been resurrected, most notably by Goddard and co-workers. For an example concerning carbenes, see: Carter, E. A.; Goddard, W A. J Phys Chem. 1986, 90, 998. See also: Simons. J. P Nature 1965, 205, 1308.
19. A good discussion, with some historical notes, of the valence state and valence promotion energy arguments can be found in the following. Murrell, J N., Kettle, S. F A.; Tedder, J. M. The Chemical Bond, 2nd ed., John Wiley & Sons: Neu York, 1985: pp 247-249. More recently, the concept has been resurrected, most notably by Goddard and co-workers. For an example concerning carbenes, see: Carter, E. A.; Goddard, W A. J Phys Chem. 1986, 90, 998. See also: Simons. J. P Nature 1965, 205, 1308.
20. A good discussion, with some historical notes, of the valence state and valence promotion energy arguments can be found in the following. Murrell, J N., Kettle, S. F A.; Tedder, J. M. The Chemical Bond, 2nd ed., John Wiley & Sons: Neu York, 1985: pp 247-249. More recently, the concept has been resurrected, most notably by Goddard and co-workers. For an example concerning carbenes, see: Carter, E. A.; Goddard, W A. J Phys Chem. 1986, 90, 998. See also: Simons. J. P Nature 1965, 205, 1308.
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