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Theoretical study on the structure and stability of [1,2,5] oxadiazolo [3,4-e] [1,2,3,4]-tetrazine-4,6-Di-N-dioxide (FTDO)

✍ Scribed by Wei-Peng Lai,Peng Lian,Tao Yu,Jian-Hua Bu,Ying-Zhe Liu…

Book ID: 126346800
Publisher: Springer-Verlag
Year: 2014
Tongue: English
Weight: 490 KB
Volume: 20
Category: Article
ISSN: 1610-2940
DOI: 10.1007/s00894-014-2343-0

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## Abstract The reactions of azido‐cyclization in 3,6‐di(azido)‐1,2,4,5‐tetrazine were studied by B3LYP hybrid density functional method. The geometries of the reactants, transition states and products were optimized, and the conformation of the initial reactant was determined by IR spectra. In add