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Volumn 113, Issue 10, 2000, Pages 4250-4264

Reaction of benzene with a ground state carbon atom, C(3Pj)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; DISSOCIATION; FREE RADICALS; GROUND STATE; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

EID: 0034622759     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1286300     Document Type: Article
Times cited : (43)

References (136)
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    • See EPAPS Document No. E-JCPSA6-113-310028 for tables with absolute energies and cartesian coordinates of all stationary points. This document may be retrieved via the EPAPS homepage (http://www.aip.org/ pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
  • 94
    • 0033449808 scopus 로고    scopus 로고
    • edited by D. B. Boyd and K. B. Lipkowitz Wiley, New York
    • T. Bally and W. T. Borden, in Reviews in Computational Chemistry, edited by D. B. Boyd and K. B. Lipkowitz (Wiley, New York, 1999), Vol. 13, p. 1.
    • (1999) Reviews in Computational Chemistry , vol.13 , pp. 1
    • Bally, T.1    Borden, W.T.2
  • 108
    • 0031563676 scopus 로고    scopus 로고
    • C. J. Cremer, J. J. Nash, and R. R. Squires, Chem. Phys. Lett. 277, 311 (1997); C. J. Cremer, J. Am. Chem. Soc. 120, 6261 (1998); P. R. Schreiner, ibid. 120, 4184 (1998).
    • (1997) Chem. Phys. Lett. , vol.277 , pp. 311
    • Cremer, C.J.1    Nash, J.J.2    Squires, R.R.3
  • 109
    • 0032125865 scopus 로고    scopus 로고
    • C. J. Cremer, J. J. Nash, and R. R. Squires, Chem. Phys. Lett. 277, 311 (1997); C. J. Cremer, J. Am. Chem. Soc. 120, 6261 (1998); P. R. Schreiner, ibid. 120, 4184 (1998).
    • (1998) J. Am. Chem. Soc. , vol.120 , pp. 6261
    • Cremer, C.J.1
  • 110
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    • C. J. Cremer, J. J. Nash, and R. R. Squires, Chem. Phys. Lett. 277, 311 (1997); C. J. Cremer, J. Am. Chem. Soc. 120, 6261 (1998); P. R. Schreiner, ibid. 120, 4184 (1998).
    • (1998) J. Am. Chem. Soc. , vol.120 , pp. 4184
    • Schreiner, P.R.1
  • 125
    • 0003396304 scopus 로고    scopus 로고
    • edited by P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. Kollman, H. F. Schaefer, and P. R. Schreiner Willey, Chichester
    • H. F. Bettinger, P. R. Schreiner, P. v. R. Schleyer, and H. F. Schaefer, in The Encyclopedia of Computational Chemistry, edited by P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. Kollman, H. F. Schaefer, and P. R. Schreiner (Willey, Chichester, 1998).
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  • 131
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    • 2 symmetry block) indicating that there is an orbital instability
    • 2 symmetry block) indicating that there is an orbital instability.
  • 132
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    • 2 state at CASPT2N to a selective overstabilization of this state
    • 2 state at CASPT2N to a selective overstabilization of this state.


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