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Structure, initial excited-state relaxation, and energy storage of rhodopsin resolved at the multiconfigurational perturbation theory levelTracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistryDFT analysis of co-alkyl and co-adenosyl vibrational modes in B12-cofactors.Excited-state minima and emission energies of retinal chromophore analogues: Performance of CASSCF and CC2 methods as compared with CASPT2.Assessment of Approximate Coupled-Cluster and Algebraic-Diagrammatic-Construction Methods for Ground- and Excited-State Reaction Paths and the Conical-Intersection Seam of a Retinal-Chromophore Model.How Does the Relocation of Internal Water Affect Resonance Raman Spectra of Rhodopsin? An Insight from CASSCF/Amber Calculations.Geometries and Vertical Excitation Energies in Retinal Analogues Resolved at the CASPT2 Level of Theory: Critical Assessment of the Performance of CASSCF, CC2, and DFT Methods.Initial excited-state dynamics of an N-alkylated indanylidene-pyrroline (NAIP) rhodopsin analog.Photodissociation of Co-C bond in methyl- and ethylcobalamin: an insight from TD-DFT calculations.Vibrational analysis of a solvated green fluorescent protein chromophore.Properties of the emitting state of the green fluorescent protein resolved at the CASPT2//CASSCF/CHARMM level.Assessing the Accuracy of Various Ab Initio Methods for Geometries and Excitation Energies of Retinal Chromophore Minimal Model by Comparison with CASPT3 Results.The role of spin-orbit coupling in the photolysis of methylcobalamin.Effects of the Protein Environment on the Spectral Properties of Tryptophan Radicals in Pseudomonas aeruginosa AzurinQuantum Chemical Modeling and Preparation of a Biomimetic Photochemical SwitchMechanism of the Initial Conformational Transition of a Photomodulable PeptideElectronically Excited States of Vitamin B12: Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated ab Initio MethodsAssessment of Functionals for TDDFT Calculations of One- and Two-Photon Absorption Properties of Neutral and Anionic Fluorescent Proteins ChromophoresInitial excited-state relaxation of locked retinal protonated schiff base chromophore. An insight from coupled cluster and multireference perturbation theory calculationsIs the choice of a standard zeroth-order hamiltonian in CASPT2 ansatz optimal in calculations of excitation energies in protonated and unprotonated schiff bases of retinal?Impacts of retinal polyene (de)methylation on the photoisomerization mechanism and photon energy storage of rhodopsinErratum to “Geometries and Vertical Excitation Energies in Retinal Analogues Resolved at the CASPT2 Level of Theory: Critical Assessment of the Performance of CASSCF, CC2, and DFT Methods”Mechanism of Co–C Bond Photolysis in the Base-On Form of MethylcobalaminMechanism of the S1 excited state internal conversion in vitamin B12Electronic and Structural Properties of Low-lying Excited States of Vitamin B12Photolysis of Methylcobalamin: Identification of the Relevant Excited States Involved in Co−C Bond Scission
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0000-0002-2215-5287