The performance of semiempirical, ab initio, and density functional methods in calculating and describing the vibrational frequencies of benzene was determined. Different levels were used. The modes were characterized by the magnitude and direction of the displacement vector. The error in the calcul
β¦ LIBER β¦
Prediction of the vibrational spectra of interacting water molecules
β Scribed by S. Chin; T.A. Ford; W.B. Person
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 801 KB
- Volume
- 113
- Category
- Article
- ISSN
- 0022-2860
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