Insights on porphyrin-functionalized graphene: Theoretical study of substituent and metal-center effects on adsorption

Title
Insights on porphyrin-functionalized graphene: Theoretical study of substituent and metal-center effects on adsorption
Authors
Keywords
graphene, adsorption, porphyrins, DFT, AMBER, GAFF force field
Journal
CHEMICAL PHYSICS LETTERS
Volume 713, Issue -, Pages 172-179
Publisher
Elsevier BV
Online
2018-10-17
DOI
10.1016/j.cplett.2018.10.046

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