Accurate Prediction of Bond Dissociation Energies and Barrier Heights for High-Energy Caged Nitro and Nitroamino Compounds Using a Coupled Cluster Theory-Reference-Cited by-同舟云学术

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

Published:2019-03-28 Issue:23 Volume:123 Page:4883-4890
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Kiselev Vitaly G.¹²³^ORCID,Goldsmith C. Franklin¹^ORCID

Affiliation:

1. School of Engineering, Brown University, 184 Hope Str., Providence, Rhode Island 02912, United States

2. Novosibirsk State University, 2 Pirogova Str., 630090 Novosibirsk, Russia

3. Institute of Chemical Kinetics and Combustion SB RAS, 3 Institutskaya Str., 630090 Novosibirsk, Russia

Funder

Russian Science Foundation

Brown University

Office of Naval Research

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b01506

Reference68 articles.

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4. Hexanitrohexaazaisowurtzitane (CL-20) and CL-20-based formulations (review)

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