Performance of Dispersion-Inclusive Density Functional Theory Methods for Energetic Materials-Reference-Cited by-同舟云学术

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Performance of Dispersion-Inclusive Density Functional Theory Methods for Energetic Materials

Published:2022-06-27 Issue:7 Volume:18 Page:4456-4471
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

O’Connor Dana¹,Bier Imanuel¹^ORCID,Hsieh Yun-Ting¹,Marom Noa¹²³^ORCID

Affiliation:

1. Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States

2. Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States

3. Department of Physics, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States

Funder

Army Research Office

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00350

Reference120 articles.

1. Design and Synthesis of Energetic Materials

2. A review of advanced high performance, insensitive and thermally stable energetic materials emerging for military and space applications

3. Alleviating the energy & safety contradiction to construct new low sensitivity and highly energetic materials through crystal engineering

4. Chemistry of Detonations. I. A Simple Method for Calculating Detonation Properties of C–H–N–O Explosives

5. From crystal structure prediction to polymorph prediction: interpreting the crystal energy landscape

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