How Can We Predict Accurate Electrochromic Shifts for Biochromophores? A Case Study on the Photosynthetic Reaction Center
Abhishek Sirohiwal, Frank Neese, Dimitrios A. Pantazis
Abstract
RC complex often employed in experimental studies, and show that it would have the same site energy distribution of RC chromophores as the full PSII supercomplex, but only under the unlikely conditions that the core protein organization and cofactor arrangement remain identical to those of the intact enzyme.
Topics & Concepts
Density functional theoryChromophoreElectrochromismPhotosynthetic reaction centreExcited stateCoupled clusterExcitationChemistryMoleculeChemical physicsAtomic physicsMolecular physicsPhysicsComputational chemistryElectron transferQuantum mechanicsPhotochemistryPhysical chemistryElectrodePhotosynthetic Processes and MechanismsSpectroscopy and Quantum Chemical StudiesPhotoreceptor and optogenetics research