𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Coupled calculation of vibrational frequencies and intensities: II. IR and Raman spectra of cyclopropane

✍ 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.


πŸ“œ SIMILAR VOLUMES


Coupled calculations of vibrational freq
✍ M. Spiekermann; D. Bougeard; B. Schrader πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 576 KB

## 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

Quantum chemical calculation of vibratio
✍ Johannes Neugebauer; Markus Reiher; Carsten Kind; Bernd A. Hess πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 390 KB πŸ‘ 1 views

## 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