2024
Assignment of chlorophyll d in the ChlD1 site of the electron transfer chain of far-red light acclimated photosystem II supported by MCCE binding calculations
Gisriel C, Ranepura G, Brudvig G, Gunner M. Assignment of chlorophyll d in the ChlD1 site of the electron transfer chain of far-red light acclimated photosystem II supported by MCCE binding calculations. Biochimica Et Biophysica Acta (BBA) - Bioenergetics 2024, 1865: 149496. PMID: 39038640, DOI: 10.1016/j.bbabio.2024.149496.Peer-Reviewed Original Research
2017
Inferring Protonation States of Hydroxamate Adsorbates on TiO2 Surfaces
Rudshteyn B, Negre C, Oliboni R, Monti A, Chen J, Crabtree R, Rego L, Batista V. Inferring Protonation States of Hydroxamate Adsorbates on TiO2 Surfaces. The Journal Of Physical Chemistry C 2017, 121: 11985-11990. DOI: 10.1021/acs.jpcc.7b01272.Peer-Reviewed Original ResearchDensity functional theoryRed-shifted spectraSimulation of UVAbsorption measurementsBinding calculationsMolecular adsorbatesBinding HamiltonianFunctional theoryProtonation stateChanges of pKMain adsorption modeExperimental measurementsSemiconductor electrode surfaceSpectraAdsorbatesUVTiO2 surfaceSpectroscopic methodsTiO2 anataseMeasurements
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