The Calculation of Force Constants of a Water Molecule Based on the Simple MO (Molecular Orbital) Method,
FOREIGN TECHNOLOGY DIV WRIGHT-PATTERSON AFB OHIO
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The report presents a study of the feasibility of applying a simple molecular orbital method for an estimate of the harmonic and nonharmonic force constants using H2O molecule as an example. In the study, the frequencies of vibrational transitions were important.
- Atomic and Molecular Physics and Spectroscopy