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An algorithm for the formation of the kinematic and force matrices in the solution of the problem of the vibrations of polyatomic molecules

โœ Scribed by V. V. Sivchik; K. M. Grushetskii


Publisher
Springer US
Year
1973
Tongue
English
Weight
183 KB
Volume
19
Category
Article
ISSN
0021-9037

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โœ V.P Baltakhinov; E.N Yurchenko; A.V Podosenin ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 63 KB

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