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 PeerReviewed |
| Language: | English |
| Published: |
Elsevier
2022
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| Online Access: | https://repository.ugm.ac.id/283627/1/Prasetyo_PA.pdf https://repository.ugm.ac.id/283627/ http://www.elsevier.com/locate/molliq https://doi.org/10.1016/j.molliq.2022.119688 |
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| Institution: | Universitas Gadjah Mada |
| Language: | English |