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Theoretical calculations of the vibrational spectra of the complex LibeF3 molecule

✍ Scribed by A.I. Boldyrev; V.G. Solomonik; O.P. Charkin

Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
204 KB
Volume
86
Category
Article
ISSN
0009-2614

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Experimental and theoretical studies of the title molecule were carried out to analyse its preferential conformation according to the usual energetic criteria and also examine its IR and Raman spectra. Molecular orbital calculations were performed via the semiempirical AM1 and PM3 methods and ab ini