DESC: An Automated Strategy to Efficiently Account for Dynamic Environment Effects in Solution.
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DOI: 10.1021/acs.jctc.5c00002
Abstract: The properties and dynamic behavior of molecules in liquid solutions depend critically on the solvent and other species, or cosolutes, including electrolytes (if present), especially when molecular association or pairing occurs. In Quantum Mechanical (QM)… read more here.
Keywords: desc automated; dynamic environment; solution; strategy ... See more keywords