Polydopamine and eumelanin models in various oxidation states
We report a comprehensive ab initio structural investigation of more than 43 000 probable molecular structures of polydopamine (PDA) and eumelanin in various oxidation states. With the aid of a computational approach including a brute-force algorithmic generation of chemical isomers and density func...
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| Format: | Article |
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Royal Society of Chemistry (RSC)
2018
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| Online Access: | http://hdl.handle.net/1721.1/119014 https://orcid.org/0000-0002-8645-4833 https://orcid.org/0000-0002-4173-9659 |