Product distributions for the reactions of CH$ and CDf with methanol, methanol-da, and ethanol studied in a tandemkm CpdOtrOTl resonance mass SpeCtrOmeter are reported. The major reaction pathways may 5c rationalized in terms of 3x1 intermediate species havving a pro&mated ether structure. The react
✦ LIBER ✦
The infra-red spectrum and the OH in-plane deformation frequency in CH3CD2OH
✍ Scribed by D. Hadži; D. Jeramić
- Book ID
- 103748141
- Publisher
- Elsevier Science
- Year
- 1957
- Weight
- 108 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0371-1951
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## Abstract The ability to use calculated OH frequencies to assign experimentally observed peaks in hydrogen bonded systems hinges on the accuracy of the calculation. Here we test the ability of several commonly employed model chemistries—HF, MP2, and several density functionals paired with the 6‐3