The calculated dipole moment and pohuizability of a molecule are affected by the position of the ghost orbit& of its partner subunit within a molecular complex. The IR and Rsmsn intensities, evaluated in terms of the derivatives of these properties with respect to sn intermolecular motion, are hence
✦ LIBER ✦
On the influence of the basis set superposition error on calculated vibrational frequencies
✍ Scribed by Jose Manuel Hermida-Ramón; Gunnar Karlström; Bengt Nelander
- Publisher
- Springer
- Year
- 2003
- Tongue
- English
- Weight
- 229 KB
- Volume
- 110
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
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