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B3LYP and MP2 Calculations of the Enthalpies of Hydrogen-Bonded Complexes of Methanol with Neutral Bases and Anions: Comparison with Experimental Data

✍ Scribed by Koné,, Mawa; Illien, Bertrand; Graton, Jérôme; Laurence, Christian


Book ID
126980855
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
120 KB
Volume
109
Category
Article
ISSN
1089-5639

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The formation enthalpy, the frequency shift and integrated intensity of the '.'OH stretching vihration have heen determined for hydrogen bonded complexes formed between phenol derivatives and tetramethylthiourea or dimethylthioformamide. These data are compared with comnlexes involving carhonyl hase