Verification of the Accuracy and Efficiency of Dispersion-Corrected Density Functional Theory Methods to Describe the Lattice Structure and Energy of Energetic Cocrystals-Reference-Cited by-同舟云学术

Verification of the Accuracy and Efficiency of Dispersion-Corrected Density Functional Theory Methods to Describe the Lattice Structure and Energy of Energetic Cocrystals

Published:2022-08-22 Issue:9 Volume:22 Page:5307-5321
ISSN:1528-7483
Container-title:Crystal Growth & Design
language:en
Short-container-title:Crystal Growth & Design

Author:

Liu Guangrui¹²,Wei Su-Huai¹^ORCID,Zhang Chaoyang¹²^ORCID

Affiliation:

1. Beijing Computational Science Research Center, Beijing 100193, China

2. Institute of Chemical Materials, China Academy of Engineering Physics (CAEP), P. O. Box 919-311, Mianyang, Sichuan 621900, China

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.cgd.2c00419

Reference115 articles.

1. Advances in science and technology of modern energetic materials: An overview

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

3. Redefining the Term of “Cocrystal” and Broadening Its Intention

4. Toward low-sensitive and high-energetic cocrystal I: evaluation of the power and the safety of observed energetic cocrystals

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