Accurate Prediction of Bond Dissociation Energies and Barrier Heights for High-Energy Caged Nitro and Nitroamino Compounds Using a Coupled Cluster Theory

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	4883-4890
Number of pages	8
Journal	Journal of Physical Chemistry A
Volume	123
Issue number	23
DOIs	https://doi.org/10.1021/acs.jpca.9b01506
Publication status	Published - 13 Jun 2019

MOLECULAR-DYNAMICS SIMULATION, THERMAL-DECOMPOSITION, THERMODYNAMIC PROPERTIES, KINETICS, MECHANISMS, CL-20, DENSITY, 2,4,6,8,10,12-HEXANITRO-2,4,6,8,10,12-HEXAAZAISOWURTZITANE, 2,2,4,4,6,6-HEXANITROADAMANTANE, OCTANITROCUBANE

ID: 20641964