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Computer solution of the vibrational inverse problem for polyatomic molecules

✍ Scribed by V. I. Berezin; M. D. El'kin


Publisher
Springer US
Year
1975
Tongue
English
Weight
104 KB
Volume
22
Category
Article
ISSN
0021-9037

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Analysis of the ab-initio force-fields o
✍ V.P Baltakhinov; E.N Yurchenko; A.V Podosenin πŸ“‚ Article πŸ“… 2000 πŸ› Elsevier Science 🌐 English βš– 63 KB

An effective technique of ab-initio force constant correction to fit theoretical vibrational frequencies to experimental ones Ε½ . was proposed. For CH X X s F,Cl, Br, I molecules, refined force constants were obtained and analyzed.