Quantum chemical analysis of vibrational spectra of methylphenylcarbamate
โ Scribed by M. B. Shundalov; G. A. Pitsevich; M. A. Ksenofontov; D. S. Umreiko
- Book ID
- 118299435
- Publisher
- Springer US
- Year
- 2009
- Tongue
- English
- Weight
- 165 KB
- Volume
- 76
- Category
- Article
- ISSN
- 0021-9037
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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