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Quantum mechanical force fields for condensed phase molecular simulations

Molecular simulations are powerful tools for providing atomic-level details into complex chemical and physical processes that occur in the condensed phase. For strongly interacting systems where quantum many-body effects are known to play an important role, density-functional methods are often used...

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Bibliografiske detaljer
Udgivet i:J Phys Condens Matter
Main Authors: Giese, Timothy J., York, Darrin M.
Format: Artigo
Sprog:Inglês
Udgivet: 2017
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5821073/
https://ncbi.nlm.nih.gov/pubmed/28817382
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1088/1361-648X/aa7c5c
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