The Electronic Structure of Methyl Nitrate. I. X-Ray Photoelectron Spectra and Preliminary Theoretical Studies.
Abstract
Ab initio LCAO-MO-SCF calculations using several basis sets and approximate INDO-MO calculations for methyl nitrate are reported. The eigenvalues and eigenvectors are used to analyze the results of x-ray photoelectron spectroscopic studies of the molecule. Core and valence electron and satellite spectra are reported. Both the theroetical and experimental results indicate that the core electrons are tightly bound in this molecular system. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Mar 01, 1976
- Accession Number
- ADA023620
Entities
People
- George F. Adams
- Jagadesh Sharma
- Peter Dibona
Organizations
- Ballistic Research Laboratory