A method is introduced for the calculation of normal-mode vibrational frequencies of polyatomic molecules based on numerical differencing of analytical gradients in symmetry coordinates. This procedure requires a number of gradient evaluations equal to the largest number of symmetry coordinates belo
β¦ LIBER β¦
On the symmetry of normal modes
β Scribed by Robin S. McDowell
- Publisher
- Elsevier Science
- Year
- 1965
- Tongue
- English
- Weight
- 225 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0022-2852
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