The Calculation of Force Constants of a Water Molecule Based on the Simple MO (Molecular Orbital) Method,
Abstract
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.
Document Details
- Document Type
- Technical Report
- Publication Date
- Sep 15, 1972
- Accession Number
- AD0752875
Entities
People
- L. I. Bezzub
- V. P. Morozov
- V. V. Rossikhin
Organizations
- National Air and Space Intelligence Center