The Electronic Structure of Methyl Nitrate. I. X-Ray Photoelectron Spectra and Preliminary Theoretical Studies.
BALLISTIC RESEARCH LABS ABERDEEN PROVING GROUND MD
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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
- Quantum Theory and Relativity