From Isolated Porphyrin Ligands to Periodic Al-PMOF: A Comparative Study of the Optical Properties Using DFT/TDDFT

Ortega Guerrero, Andres AdolfoFumanal Quintana, MariaCapano, GloriaSmit, Berend2020-11-292020-11-292020-11-29202010.1021/acs.jpcc.0c06885https://infoscience.epfl.ch/handle/20.500.14299/173713From Isolated Porphyrin Ligands to Periodic Al-PMOF: A Comparative Study of the Optical Properties Using DFT/TDDFTtext::journal::journal article::research article