Article ID Journal Published Year Pages File Type
5385619 Chemical Physics Letters 2010 5 Pages PDF
Abstract
Hydration free energy of ammonia molecule was in good agreement with the experimental value by using the QM/MM-MD method with the NDDO-SSRP treatment.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Microscopic hydration mechanism in the ammonia dissolution process: Importance of the solute QM polarization
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