Ab-initio prediction of materials properties with CRYSTAL: MOF-5 as a case study

By Bartolomeo Civalleri, F. Napoli, Y. Noël, C. Roetti, Roberto Dovesi. 2006

167 citations recorded by the source corpus.

Subfields: Inorganic Chemistry, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/e873958d40c551a2543abaecb3c980d5f0e149f7

Citations in the corpus

• Luminescent metal-organic frameworks. (2009, unknown): “Although this mechanism is supported by excitation spectra indicating that light absorption occurs via the benzene unit and by ab initio studies [24], recent work demonstrates that ligand-centered luminescence is actually the dominant process and that the green emission attributed to LMCT is due to…”