Accession Number : ADA288369

Title :   Continued Computational Evaluation of the Feasibility of Nitrating Precursors to C (12)N (12)O(12).

Descriptive Note : Technical rept.,

Corporate Author : NEW ORLEANS UNIV LA DEPT OF CHEMISTRY

Personal Author(s) : Politzeer, Peter ; Grice, M. E.

PDF Url : ADA288369

Report Date : 05 DEC 1994

Pagination or Media Count : 4

Abstract : Extending the work reported in Technical Report No. 71 (October 20, 1994), we computed the average local ionization energies on the surfaces of two more possible precursors to 1. No minima were found at the positions to be nitrated, indicating that these are not favored sites for this purpose.

Descriptors :   *AROMATIC HYDROCARBONS, *NITRIDING, ELECTRONIC STATES, IONIZATION, CHARGE TRANSFER.

Subject Categories : Organic Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE