Open AccessOptical absorption properties of metal–organic frameworks: solid state versus molecular perspective
Author(s) -
Maria Fumanal,
Clémence Corminbœuf,
Berend Smit,
Ivano Tavernelli
Publication year - 2020
Publication title -
physical chemistry chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.053
H-Index - 239
eISSN - 1463-9084
pISSN - 1463-9076
DOI - 10.1039/d0cp03899g
Subject(s) - excited state , electronic structure , ligand (biochemistry) , molecular orbital , chemical physics , electron configuration , chemistry , metal , computational chemistry , materials science , molecule , crystallography , ion , atomic physics , physics , organic chemistry , biochemistry , receptor
The challenges of the description of excited states in MOF crystals are addressed by periodic and molecular computations.
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