טוען...
Electronic continuum model for molecular dynamics simulations
A simple model for accounting for electronic polarization in molecular dynamics (MD) simulations is discussed. In this model, called molecular dynamics electronic continuum (MDEC), the electronic polarization is treated explicitly in terms of the electronic continuum (EC) approximation, while the nu...
שמור ב:
| Main Authors: | , |
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| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
American Institute of Physics
2009
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| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3910273/ https://ncbi.nlm.nih.gov/pubmed/19256627 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3060164 |
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