Quantum chemical insights into the dependence of porphorin basicity on the meso-aryl substituents: thermodynamics, buckling, reaction sites and molecular flexibility

Presselt, MartinMartinPresseltDehaen, WimWimDehaenMaes, WouterWouterMaesKlamt, AndreasAndreasKlamtMartinez, ToddToddMartinezBeenken, Wichard J.D.Wichard J.D.BeenkenKruk, MikalaiMikalaiKruk2021-10-222021-10-2220151463-9076https://imec-publications.be/handle/20.500.12860/25773Quantum chemical insights into the dependence of porphorin basicity on the meso-aryl substituents: thermodynamics, buckling, reaction sites and molecular flexibilityJournal article10.1039/c5cp01808khttp://pubs.rsc.org/en/Content/ArticleLanding/2015/CP/C5CP01808K?utm_source=feedburner&utm_medium=feed&utm_campaign=Feed%3A+rss%