Crystal structure and ab initio calculations of a cyano-carbamimidic acid ethyl ester

Journal of Molecular Structure

Volumn 885, Issue 1-3, 2008, Pages 97-103

  Van Hecke, Kristof ^a   Thi Ngan, Vu ^a   Nockemann, Peter ^a   Thijs, Ben ^a   Tho Nguyen, Minh ^a   Binnemans, Koen ^a   Van Meervelt, Luc ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

Ab initio calculations; Carbamimidic acid; Tautomerism

Indexed keywords

AMINATION; AMINES; CALCULATIONS; CHEMICAL STABILITY; ESTERIFICATION; ESTERS; FARM BUILDINGS; NITROGEN COMPOUNDS; ORGANIC COMPOUNDS; POWDERS; QUANTUM CHEMISTRY; SINGLE CRYSTALS; X RAY DIFFRACTION ANALYSIS;

AB INITIO CALCULATIONS; AB INITIO QUANTUM CHEMICAL CALCULATIONS; CRYSTALLIZED STRUCTURE; ELECTRON CONJUGATION; ELSEVIER (CO); ETHYL ESTERS; SINGLE BONDS; SINGLE CRYSTAL X-RAY DIFFRACTION (XRD);

CRYSTAL STRUCTURE;

EID: 46749154616     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2007.10.027     Document Type: Article

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