Quantum chemical investigations of reaction mechanism-Reference-Cited by-同舟云学术

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Quantum chemical investigations of reaction mechanism

Published:2022 Issue: Volume: Page:291-345
ISSN:1380-7323
Container-title:Theoretical and Computational Chemistry
language:
Short-container-title:

Author:

Zhu Weihua

Funder

National Natural Science Foundation of China

Publisher

Elsevier

Reference105 articles.

1. Thermal Decomposition and Combustion of Explosives and Powders;Manelis,1996

2. Initiation and decomposition mechanisms of energetic materials;Manaa,2003

3. Modeling the reactions of energetic materials in the condensed phase;Fried,2005

4. The reactivity of energetic materials at extreme conditions;Fried,2007

5. Quantum Chemistry of Energetic Crystals;Zhu,2012

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1. Impact sensitivities of energetic materials derived from easy-to-compute ab initio rate constants;Physical Chemistry Chemical Physics;2023

2. Detecting Common Explosive Molecules Using a Wavy Monolayer Arsenene: A Density Functional Theory Study;ChemistrySelect;2022-12

3. Effects of oxidizing molecules on the thermal decomposition of TTDO by ab initio molecular dynamics simulations;Journal of Molecular Graphics and Modelling;2022-11

4. Thermal decomposition mechanisms of energetic CL-20-based co-crystals: quantum molecular dynamics simulations;Journal of Molecular Modeling;2022-09-22

5. ReaxFF/lg molecular dynamics study on thermolysis mechanism of NTO/HTPB plastic bonded explosive;Computational and Theoretical Chemistry;2022-09

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