## Abstract The optimized geometry of isolated trimethylamine (TMA), its hydrogen bond complexes with phenol derivatives and protonated TMA is calculated at the B3LYP/6‐31++G(d,p) level. A natural bond orbital (NBO) analysis on these systems is carried out at the same level of theory. In isolated T
✦ LIBER ✦
On the Origin of Red and Blue Shifts of XH and CH Stretching Vibrations in Formic Acid (Formate Ion) and Proton Donor Complexes
✍ Scribed by Renato Luis Tâme Parreira; Sérgio Emanuel Galembeck; Pavel Hobza
- Publisher
- John Wiley and Sons
- Year
- 2007
- Tongue
- English
- Weight
- 222 KB
- Volume
- 8
- Category
- Article
- ISSN
- 1439-4235
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