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Flat-Histogram Monte Carlo as an Efficient Tool To Evaluate Adsorption Processes Involving Rigid and Deformable Molecules
Monte Carlo simulations are the foundational technique for predicting thermodynamic properties of open systems where the process of interest involves the exchange of particles. Thus, they have been used extensively to computationally evaluate the adsorption properties of nanoporous materials and are...
Sparad:
| I publikationen: | J Chem Theory Comput |
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| Huvudupphovsmän: | , , |
| Materialtyp: | Artigo |
| Språk: | Inglês |
| Publicerad: |
2018
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| Ämnen: | |
| Länkar: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7489491/ https://ncbi.nlm.nih.gov/pubmed/30296088 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b00534 |
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