Open AccessDFT Studies on Two Novel Explosives Based on the Guanidine-Fused Bicyclic Structure
Author(s) -
Xinghui Jin,
Bingcheng Hu,
Huanqing Jia,
Zuliang Liu,
Lu Chen
Publication year - 2014
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
eISSN - 1229-5949
pISSN - 0253-2964
DOI - 10.5012/bkcs.2014.35.4.1043
Subject(s) - isodesmic reaction , detonation , density functional theory , chemistry , guanidine , computational chemistry , bond dissociation energy , standard enthalpy of formation , bicyclic molecule , thermal stability , thermal decomposition , mndo , explosive material , dissociation (chemistry) , crystallography , lattice energy , stereochemistry , crystal structure , molecule , organic chemistry