Protonation equilibria of transition metal complexes: From model systems toward the Mn-complex in photosystem II

Article ID	Journal	Published Year	Pages	File Type
5150789	Coordination Chemistry Reviews	2017	38 Pages	PDF

Keywords

EXAFS PBF SCF MEAD PCET OEC CPCM COSMO-RS Electron leakage Conductor-like Polarizable Continuum Model DFT RPc SES Solvation energy Oxygen evolving complex Dielectric constant Self-consistent field extended X-ray absorption fine structure Artificial photosynthesis conductor-like screening model conductor-like screening model for real solvents Poisson equation Density functional theory Resp restrained electrostatic potential Proton coupled electron transfer COSMO

Related Topics

Physical Sciences and Engineering Chemistry Inorganic Chemistry

Protonation equilibria of transition metal complexes: From model systems toward the Mn-complex in photosystem II

Authors

Emanuele Rossini, Ernst-Walter Knapp,