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Quantum-chemical study of dimeric associates of phosphorus acid amides

✍ Scribed by V. E. Klimenko; G. Peinel; V. V. Pen'kovskii

Book ID
112363465
Publisher
Springer
Year
1984
Tongue
English
Weight
253 KB
Volume
19
Category
Article
ISSN
0040-5760

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Quantum-chemical studies of amide–iminol
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Amide-iminol tautomerism was studied for oxamic acid (OA) in the gas phase using various quantumchemical methods (HF, MP2, DFT, and G2). All possible twenty tautomers-rotamers, four amide and sixteen iminol forms, were considered for the neutral molecule. At each level of theory, the amidization pro