[图书][B] Study of Reaction Driven Processes Using Molecular Dynamics: Applications of Reaxff for Combustion Chemistry and Material Synthesis
AD Lele - 2021 - search.proquest.com
The reactive molecular dynamics method bridges the gap between quantum chemistry and
computational fluid dynamics (CFD) methods. The ReaxFF reaction dynamics methods have …
computational fluid dynamics (CFD) methods. The ReaxFF reaction dynamics methods have …
STUDY OF REACTION DRIVEN PROCESSES USING MOLECULAR DYNAMICS: APPLICATIONS OF REAXFF FOR COMBUSTION CHEMISTRY AND MATERIAL …
A Lele - 2022 - etda.libraries.psu.edu
The reactive molecular dynamics method bridges the gap between quantum chemistry and
computational fluid dynamics (CFD) methods. The ReaxFF reaction dynamics methods have …
computational fluid dynamics (CFD) methods. The ReaxFF reaction dynamics methods have …