Kaxiras’s Porphyrin: DFT Modeling of Redox-Tuned Optical and Electronic Properties in a Theoretically Designed Catechol-Based Bioinspired Platform

A detailed computational investigation of the 5,6-dihydroxyindole (DHI)-based porphyrin-type tetramer first described by Kaxiras as a theoretical structural model for eumelanin biopolymers is reported herein, with a view to predicting the technological potential of this unique bioinspired tetracatec...

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Bibliographic Details
Main Authors: Orlando Crescenzi, Marco d’Ischia, Alessandra Napolitano
Format: Article
Language:English
Published: MDPI AG 2017-11-01
Series:Biomimetics
Subjects:
DFT
Online Access:https://www.mdpi.com/2313-7673/2/4/21