Modification of a ReaxFF potential at short range for energetic materials
Author:
Funder
shaanxi sheng kexue jishu ting
Publisher
Elsevier BV
Reference38 articles.
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2. Reactive molecular dynamics simulations of carbon-containing clusters formation during pyrolysis of TNT;Hai;Acta Phys Chim Sin,2014
3. Exploring the conformational and reactive dynamics of biomolecules in solution using an extended version of the glycine reactive force field;Monti;Phys Chem Chem Phys,2013
4. ReaxFF molecular dynamics simulations of thermal reactivity of various fuels in pyrolysis and combustion;Li;ENERG FUEL,2021
5. The ReaxFF reactive force-field: development, applications and future directions;Senftle;npj Comput Mater,2016
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