Accurate Thermochemistry of Novel Energetic Fused Tricyclic 1,2,3,4-Tetrazine Nitro Derivatives from Local Coupled Cluster Methods

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

Original language	English
Pages (from-to)	9818-9827
Number of pages	10
Journal	Journal of Physical Chemistry A
Volume	123
Issue number	45
DOIs	https://doi.org/10.1021/acs.jpca.9b08356
Publication status	Published - 14 Nov 2019

TRANSITION-METAL-COMPLEXES, N-HETEROCYCLIC COMPOUNDS, ZERO-FIELD SPLITTINGS, THERMODYNAMIC PROPERTIES, ELECTRON-AFFINITIES, DENSITY FUNCTIONALS, VAPOR-PRESSURES, ENTHALPIES, COMBUSTION, HEATS

ID: 22337641