QM/MM methods in studies of coinage metals: copper, silver, and gold interacting with biological and organic molecules
ABSTRACTA QM/MM method is an atomistic simulation algorithm that allows researchers to describe different regions of a system with different physical laws. Here, we review this hybrid method’s applications to the study of copper, silver, and gold atoms and clusters interacting with biological and or...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Taylor & Francis Group
2023-12-01
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| Series: | Advances in Physics: X |
| Subjects: | |
| Online Access: | https://www.tandfonline.com/doi/10.1080/23746149.2022.2153625 |