Modeling chemical reactions in classical molecular dynamics simulations

Published 2017 View Full Article

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Title
Modeling chemical reactions in classical molecular dynamics simulations
Authors
Keywords
Molecular dynamics, LAMMPS, Chemical reaction, Polymer simulation, Crosslinking, Amorphous system
Journal
POLYMER
Volume 128, Issue -, Pages 211-217
Publisher
Elsevier BV
Online
2017-09-19
DOI
10.1016/j.polymer.2017.09.038

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