Quantum chemical analysis of para-substitution effects on the electronic structure of phenylnitrenium ions in the gas phase and aqueous solution

Journal of the American Chemical Society

Volumn 120, Issue 45, 1998, Pages 11778-11783

  Sullivan, Michael B ^a   Brown, Kenneth ^a   Cramer, Christopher J ^a   Truhlar, Donald G ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUND;

AQUEOUS SOLUTION; ARTICLE; CHEMICAL ANALYSIS; CONJUGATION; COVALENT BOND; DNA MODIFICATION; ION TRANSPORT; MOLECULAR INTERACTION; QUANTUM CHEMISTRY; SOLVATION;

EID: 0032545009     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja982542a     Document Type: Article

References (6)

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2. Miller, J. A. Cancer Res. 1970, 30, 559.
3. Scribner, J. D.; Naimy, N. Cancer Res. 1975, 35, 1416.
4. Abramovitch, R. A.; Jeyaraman, R. In Azides and Nitrenes: Reactivity and Utility; Scriven, E. F. V., Ed.; Academic: New York, 1984; p 297.
5. Novak, M.; Roy, A. K. J. Org. Chem. 1985, 50, 571.
6. Stadler, W. M. Int. J. Oncol. 1993, 3, 549.