Calculation of vibrational Raman intensities of organic molecules with a delocalized π system
✍ Scribed by M. Pfeiffer
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 476 KB
- Volume
- 241
- Category
- Article
- ISSN
- 0009-2614
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## Abstract In this work we demonstrate how different modern quantum chemical methods can be efficiently combined and applied for the calculation of the vibrational modes and spectra of large molecules. We are aiming at harmonic force fields, and infrared as well as Raman intensities within the dou
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