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Capturing Many-Body Interactions with Classical Dipole Induction Models

[Image: see text] The nonadditive many-body interactions are significant for structural and thermodynamic properties of condensed phase systems. In this work we examined the many-body interaction energy of a large number of common organic/biochemical molecular clusters, which consist of 18 chemical...

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Détails bibliographiques
Publié dans:J Chem Theory Comput
Auteurs principaux: Liu, Chengwen, Qi, Rui, Wang, Qiantao, Piquemal, J.-P., Ren, Pengyu
Format: Artigo
Langue:Inglês
Publié: American Chemical Society 2017
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC5472369/
https://ncbi.nlm.nih.gov/pubmed/28482664
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b00225
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