An ab initio theoretical study of 2,4,6-trinitro-1,3,5-triazine, 3,6-dinitro-1,2,4,5-tetrazine, and 2,5,8-trinitro-tri-s-triazine

Propellants, Explosives, Pyrotechnics

Volumn 33, Issue 6, 2008, Pages 443-447

  Li, Jinshan ^a  

^a RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

2,4,6 trinitro 1,3,5 triazine; 2,5,8 trinitro tri s triazine; 3,6 dinitro 1,2,4,5 tetrazine; B3LYP method

Indexed keywords

2,4,6-TRINITRO-1,3,5-TRIAZINE; 2,5,8-TRINITRO-TRI-S-TRIAZINE; 3,6-DINITRO-1,2,4,5-TETRAZINE; AB INITIO; B3LYP DENSITY FUNCTIONAL; B3LYP METHOD; BASIS SETS; DETONATION VELOCITIES; ENERGETIC COMPOUNDS; ENERGY CONTENTS; ENTHALPIES OF FORMATIONS; EXTENDED CONJUGATIONS; GAS PHASE; ISODESMIC REACTIONS; TITLE COMPOUNDS; TRINITROBENZENE;

EID: 57649216248     PISSN: 07213115     EISSN: 15214087     Source Type: Journal    
DOI: 10.1002/prep.200700208     Document Type: Article

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