Coupled calculation of vibrational frequencies and intensities: II. IR and Raman spectra of cyclopropane
β Scribed by M. Spiekermann; D. Bougeard; B. Schrader
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 653 KB
- Volume
- 60
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract The experimental IR and Raman spectra of ethylene oxide have been reinvestigated with particular attention to the intensities. The absolute IR intensities have been measured for the gaseous state. The spectra have been simulated by using a normal coordinate analysis coupled with a CNDO
## 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