Continued Computational Evaluation of the Feasibility of Nitrating Precursors to C (12)N (12)O(12).
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.
Document Details
- Document Type
- Technical Report
- Publication Date
- Dec 05, 1994
- Accession Number
- ADA288369
Entities
People
- M. Edward Grice
- Peter Politzeer
Organizations
- University of New Orleans