1-Vinyl-5-amino-1H-tetrazole: X-ray molecular and crystal structures and quantum-chemical DFT calculations

Journal of Molecular Structure

Volumn 876, Issue 1-3, 2008, Pages 260-267

  Lyakhov, Alexander S ^a   Matulis, Vadim E ^a   Gaponik, Pavel N ^a   Voitekhovich, Sergei V ^a   Ivashkevich, Oleg A ^a  

^a BELARUSIAN STATE UNIVERSITY   (Belarus)

Author keywords

Electron delocalization; Aminotetrazoles; Quantum chemical calculations; Tautomerism; Vinyltetrazoles; X ray analysis

Indexed keywords

DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; MOLECULAR STRUCTURE; PROTONATION; X RAY DIFFRACTION;

Π-ELECTRON DELOCALIZATION; AMINOTETRAZOLES; QUANTUM-CHEMICAL CALCULATIONS; TAUTOMERISM; VINYLTETRAZOLES;

QUANTUM CHEMISTRY;

EID: 40649121516     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2007.06.027     Document Type: Article

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