Conical intersections of three electronic states affect the ground state of radical species with little or no symmetry: Pyrazolyl

Journal of the American Chemical Society

Volumn 125, Issue 41, 2003, Pages 12428-12429

  Matsika, Spiridoula ^a   Yarkony, David R ^a  

^a JOHNS HOPKINS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PYRAZOLE DERIVATIVE; PYRAZOLYL DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL ANALYSIS; ENERGY; EQUILIBRIUM CONSTANT; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; VIBRATION;

EID: 0141988956     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja037925+     Document Type: Article

References (6)

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2. Matsika, S.; Yarkony, D. R. J. Am. Chem. Soc. 2003, 125, 10672.
3. Opik, U.; Pryce, M. H. L. Proc. R. Soc. London, Ser. A 1957, 238, 425.
4. von Neumann, J.; Wigner, E. Phys. Z 1929, 30, 467.
5. Katriel, J.; Davidson, E. Chem. Phys. Lett. 1980, 76, 259.
6. Kato, S.; Hoenigman, R.; Gianola, A.; Ichino, T.; Bierbaum, V.; Lineberger, W. C. In Molecular Dynamics and Theoretical Chemistry Contractors Review; Berman, M., Ed.; AFOSR: Shelter Point Hotel, San Diego, 2003; p 49.