Irregular structure of the hydrated Ag+ in aqueous solution and its Dynamics: An insight from perturbation theory hybrid forces molecular dynamics simulation
The structural and dynamical properties of hydrated Ag+ in a water solution were investigated theoretically using hybrid forces molecular dynamics simulation. The quantum mechanical region was treated using the resolution of identity MP2 (RI-MP2) level of a theory enabling the description of the pro...
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| Format: | Article |
| Language: | English |
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Elsevier
2022
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| Online Access: | https://repository.ugm.ac.id/283627/1/Prasetyo_PA.pdf |