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Journal of Molecular Structure: THEOCHEM

Volumn 711, Issue 1-3, 2004, Pages 7-11

Theoretical study pyridine-substituted α-diketones

(4) Rogachev, Andrey Yu a Filatov, Alexander S a Vatsadze, Sergey Z a Zyk, Nikolay V a

a MOSCOW STATE UNIVERSITY (Russian Federation)

Author keywords

Diketones; Bond energy calculations; DFT calculations; NBO analyses; Substituents effects

Indexed keywords

CARBONYL DERIVATIVE; KETONE DERIVATIVE; PYRIDINE DERIVATIVE; 1,2 DICARBONYL DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL BOND; CONFORMATION; DENSITY FUNCTIONAL THEORY; ENERGY; GEOMETRY; MOLECULE; CHEMICAL STRUCTURE; THEORETICAL STUDY;

EID: 9944242305 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/j.theochem.2004.07.030 Document Type: Article

Times cited : (3)

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