Amplification of Anharmonicities in Multiphoton Vibrational Action Spectra
โ Scribed by F. Calvo; P. Parneix
- Publisher
- John Wiley and Sons
- Year
- 2011
- Tongue
- English
- Weight
- 552 KB
- Volume
- 13
- Category
- Article
- ISSN
- 1439-4235
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
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these two theories are.riot exclusive, but'ratber &&. One of the most char&&stid features of the hydrogen-bond X-H.. .Y is the high anharmonic/ty of the stretching vibration vX\_H,W,Y of the H atom in this bond [I] . As a consequence of this anharrnonicity the c&responding infrared spectrum of the v
## Abstract We report anharmonic spectra calculated for formaldehyde in acetonitrile solution using the quartic force field obtained for various DFT/solvent coupled models. A statistical study has been carried out for each mode by using several classes of DFT functionals and comparing them to the r