Molecular orbital studies of vibrational frequencies
β Scribed by J. A. Pople; H. B. Schlegel; R. Krishnan; D. J. Defrees; J. S. Binkley; M. J. Frisch; R. A. Whiteside; R. F. Hout; W. J. Hehre
- Book ID
- 104580514
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 488 KB
- Volume
- 20
- Category
- Article
- ISSN
- 0020-7608
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π SIMILAR VOLUMES
High levels of ab initio molecular orbital theory have been used to study the structures, binding energies, vibrational frequencies and equilibrium constants of hydrogen peroxide-water dimers. The geometries of the different possible conformers were optimized at the HF/6-3 1 1 + + G (2d, 2p) level o
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