Thermodynamics and the Potential Energy Landscape: Case Study of Small Water Clusters

Phys. Chem. Chem. Phys., 2019, Accepted Manuscript DOI: 10.1039/C9CP00474B, PaperJordan Dorrell, Livia Bartok-Partay We investigated the structure and the thermodynamic properties of small water clusters with the nested sampling computational technique, using two different water models, the coarse-grained mW (up to 25 molecules)... The content of this RSS Feed (c) The Royal Society of Chemistry
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