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Errors in the reproduction of vibrational loads based on their spectral density

✍ Scribed by E. T. Grigor'ev; V. I. Gronskii; M. G. Koporulina


Book ID
104990680
Publisher
Springer US
Year
1974
Tongue
English
Weight
272 KB
Volume
10
Category
Article
ISSN
1573-8582

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The conventional ab initio method at the closed and open restricted Hartree-Fock levels (RHF, ROHF) and the density functional theory approach at the B3-LYP and UB3-LYP levels, using the 6-31G(+ \*) basis set, were applied to predict the molecular structures, the energetic properties (proton affinit