Bottom-up design of high-energy-density molecules (N2CO)n (n = 2–8)
Author:
Affiliation:
1. Laboratory of Theoretical and Computational Chemistry
2. Institute of Theoretical Chemistry
3. Jilin University
4. Changchun 130023
5. P. R. China
Abstract
A bottom-up strategy from an HEDM seed (i.e., cyc-N2CO) to novel oligomeric HEDMs was propsed.
Funder
National Natural Science Foundation of China
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2017/RA/C6RA28358F
Reference48 articles.
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4. Prediction of structures and properties of 2,4,6-triamino-1,3,5-triazine-1,3,5-trioxide (MTO) and 2,4,6-trinitro-1,3,5-triazine-1,3,5-trioxide (MTO3N) green energetic materials from DFT and ReaxFF molecular modeling
5. Carbonyl diazide, OC(N3)2: Calculated thermodynamic properties
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