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REACTER is a heuristic protocol that allows complex, predefined reactions to be modeled in atomistic, fixed-valence molecular dynamics (MD) simulations. The method is applicable to a broad range of... Click to show full abstract
REACTER is a heuristic protocol that allows complex, predefined reactions to be modeled in atomistic, fixed-valence molecular dynamics (MD) simulations. The method is applicable to a broad range of...
Keywords:
reactive molecular;
molecular dynamics;
heuristic method;
method reactive;
reacter heuristic
Journal Title: Macromolecules
Year Published: 2020
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Journal Title: Macromolecules
Year Published: 2020
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!