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
Azines. Effect of basis set on calculated vibrational frequencies, infrared intensities and Raman intensities
β Scribed by Kenneth B. Wiberg
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 638 KB
- Volume
- 224
- Category
- Article
- ISSN
- 0022-2860
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