Nonadiabatic Decomposition of Gas-Phase RDX through Conical Intersections: An ONIOM-CASSCF Study-Reference-Cited by-同舟云学术

Nonadiabatic Decomposition of Gas-Phase RDX through Conical Intersections: An ONIOM-CASSCF Study

Published:2011-04-11 Issue:17 Volume:115 Page:4135-4147
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Bhattacharya A.¹,Bernstein E. R.¹

Affiliation:

1. Department of Chemistry, Colorado State University, Fort Collins, Colorado 80521, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp109152p

Reference47 articles.

1. Bernstein, E. R.InOverviews of Recent Research on Energetic Materials;Shaw, R., Brill, T., Thompson, D., Eds.World Scientific:Singapore, 2004; pp161−190

2. Correlation of impact sensitivity with electronic levels and structure of molecules

3. Chemical reactions at detonation fronts in solids

4. Role of electronic excitations in explosive decomposition of solids

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