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ReaxFF/AMBER—A Framework for Hybrid Reactive/Nonreactive Force Field Molecular Dynamics Simulations
Combined quantum mechanical/molecular mechanical (QM/MM) models using semiempirical and ab initio methods have been extensively reported on over the past few decades. These methods have been shown to be capable of providing unique insights into a range of problems, but they are still limited to rela...
Wedi'i Gadw mewn:
| Cyhoeddwyd yn: | J Chem Theory Comput |
|---|---|
| Prif Awduron: | , , , , , , |
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
2020
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| Pynciau: | |
| Mynediad Ar-lein: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8145783/ https://ncbi.nlm.nih.gov/pubmed/33141581 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c00874 |
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