Detecting Common Explosive Molecules Using a Wavy Monolayer Arsenene: A Density Functional Theory Study
Author:
Affiliation:
1. Institute for Computation in Molecular and Materials Science School of Chemistry and Chemical Engineering Nanjing University of Science and Technology 210094 Nanjing China
Funder
National Natural Science Foundation of China
Publisher
Wiley
Subject
General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/slct.202203558
Reference30 articles.
1. Possible pre-phase transition of the α-HMX crystal observed by the variation of hydrogen-bonding network under high pressures
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3. Structure, intermolecular interactions, and dynamic properties of NTO crystals with impurity defects: a computational study
4. Quantum chemical investigations of reaction mechanism
5. Effects of Noncovalent Interactions on the Impact Sensitivity of HNS-Based Cocrystals: A DFT Study
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