First principle study of the structure of conjugated amides and thioamides

International Journal of Quantum Chemistry

Volumn 107, Issue 8, 2007, Pages 1765-1771

  Velkov, Zhivko ^a   Velkov, Yasen ^b   Balabanova, Elena ^a   Tadjer, Alia ^b  

^a SOUTH WEST UNIVERSITY NEOFIT RILSKI   (Bulgaria)

^b UNIVERSITY OF SOFIA   (Bulgaria)

Author keywords

Ab initio and DFT calculations; Amide; O coumaric acid; Thioamide

Indexed keywords

CARRIER CONCENTRATION; DENSITY FUNCTIONAL THEORY; ORGANIC ACIDS; PHENOLS; SULFUR COMPOUNDS;

AB INITIO; O COUMARIC ACID; THIOAMIDE;

AMIDES;

EID: 34248225425     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21234     Document Type: Conference Paper

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