Prediction of electronically nonadiabatic decomposition mechanisms of isolated gas phase nitrogen-rich energetic salt: Guanidium-triazolate

Published 2016 View Full Article

Authors

Keywords

Electronically nonadiabatic decomposition, Computational chemistry, Energetic salts, Conical intersections, Electronically excited states, CASSCF, CASPT2, CASMP2 calculations

Journal

CHEMICAL PHYSICS

Volume 464, Issue -, Pages 26-39

Publisher

Elsevier BV

Online

2015-11-06

DOI

10.1016/j.chemphys.2015.10.016

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