ReaxFF/AMBER—A Framework for Hybrid Reactive/Nonreactive...

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Journal of Chemical Theory and Computation 2020 / 11

ReaxFF/AMBER—A Framework for Hybrid Reactive/Nonreactive Force Field Molecular Dynamics Simulations

Rahnamoun, Ali, Kaymak, Mehmet Cagri, Manathunga, Madushanka, Götz, Andreas W., van Duin, Adri C. T., Merz, Kenneth M., Aktulga, Hasan Metin
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Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00874
Date:
November, 2020
File:
PDF, 2.30 MB
2020
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