Theoretical study of gas-phase formation enthalpies and isomerism for 4(5)-nitro-1,2,3-triazole and its N-alkyl derivatives and experimental determination of formation enthalpy for 2-methyl-4-nitro-1,2,3-triazole

Journal of Molecular Structure: THEOCHEM

Volumn 854, Issue 1-3, 2008, Pages 18-25

  Matulis, Vadim E ^a   Ivashkevich, Oleg A ^a   Gaponik, Pavel N ^a   Elkind, Pavel D ^a   Sukhanov, Gennady T ^b   Bazyleva, Ala B ^c   Zaitsau, Dzmitry H ^c  

^a BELARUSIAN STATE UNIVERSITY   (Belarus)

^b INSTITUTE FOR PROBLEMS OF CHEMICAL AND ENERGETIC TECHNOLOGIES   (Russian Federation)

^c BELARUSIAN STATE UNIVERSITY   (Belarus)

Author keywords

4(5) Nitro 1,2,3 triazole; Enthalpies of formation; Isomerism; N alkyl 4(5) nitro 1,2,3 triazoles; Quantum chemical calculations

Indexed keywords

EID: 40849119893     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.12.009     Document Type: Article

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