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Accession Number:
AD0752875
Title:
The Calculation of Force Constants of a Water Molecule Based on the Simple MO (Molecular Orbital) Method,
Descriptive Note:
Corporate Author:
FOREIGN TECHNOLOGY DIV WRIGHT-PATTERSON AFB OHIO
Report Date:
1972-09-15
Pagination or Media Count:
11.0
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.
Distribution Statement:
APPROVED FOR PUBLIC RELEASE