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Study of solvents effect on distribution of configurational and conformational isomers of apo-tirucallol theoretically and experimentally

✍ Scribed by Jie Ren; Xiang-Hai Cai; Hua-Fang Fan; Jin-Xing Cao; Tou-Geng Liao; Xiao-Dong Luo; Hua-Jie Zhu


Book ID
108285885
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
319 KB
Volume
870
Category
Article
ISSN
0166-1280

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Theoretical calculation of vibrational p
✍ D. Rinaldi; M.F. Ruiz-Lopez; M.T.C.Martins Costa; J.L. Rivail πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 432 KB

The vibrational polarizability tensor is linked to the force constant and dipole moment derivative matrices. The analytical computation of these quantities is possible, in particular by using semi-empirical quantum-chemical methods. The electrostatic influence of liquid surroundings can be analyzed