Blue shifts of the CH stretching vibrati
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Asit K. Chandra; Salma Parveen; Subojit Das; Thérèse Zeegers-Huyskens
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Article
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2008
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John Wiley and Sons
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English
⚖ 177 KB
👁 1 views
## 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