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Molcas8: New capabilities for multiconfigurational quantum chemical calculations across the periodic tableModelling time-resolved two-dimensional electronic spectroscopy of the primary photoisomerization event in rhodopsin.Tracking conformational dynamics of polypeptides by nonlinear electronic spectroscopy of aromatic residues: a first-principles simulation studyDisentangling Peptide Configurations via Two-Dimensional Electronic Spectroscopy: Ab Initio Simulations Beyond the Frenkel Exciton HamiltonianDeciphering the photochemical mechanisms describing the UV-induced processes occurring in solvated guanine monophosphateModeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy.Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate.Tracking the primary photoconversion events in rhodopsins by ultrafast optical spectroscopy.Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides.Future challenges: general discussion.Two-Dimensional Electronic Spectroscopy of Benzene, Phenol, and Their Dimer: An Efficient First-Principles Simulation Protocol.Excited state evolution of DNA stacked adenines resolved at the CASPT2//CASSCF/Amber level: from the bright to the excimer state and back.Beyond the van der Lugt/Oosterhoff model: when the conical intersection seam and the S1 minimum energy path do not cross.On the Simulation of Two-dimensional Electronic Spectroscopy of Indole-containing Peptides.Photoelectrochromism in the Retinal Protonated Schiff Base Chromophore: Photoisomerization Speed and Selectivity under a Homogeneous Electric Field at Different Operational Regimes.The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone.Photoinduced formation mechanism of the thymine-thymine (6-4) adduct in DNA; a QM(CASPT2//CASSCF):MM(AMBER) study.Multiple Electronic and Structural Factors Control Cyclobutane Pyrimidine Dimer and 6-4 Thymine-Thymine Photodimerization in a DNA Duplex.Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy.UV-induced long-lived decays in solvated pyrimidine nucleosides resolved at the MS-CASPT2/MM level.Spectral lineshapes in nonlinear electronic spectroscopy.Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations.Geometrical and substituent effects in conical intersections: linking chemical structure and photoreactivity in polyenes.Accelerated and efficient photochemistry from higher excited electronic states in fulgide molecules.Impacts of hydroxylation on the photophysics of chalcones: insights into the relation between the chemical composition and the electronic structure.Theoretical Model of the Protochlorophyllide Oxidoreductase from a Hierarchy of ProtocolsRelationship between Excited State Lifetime and Isomerization Quantum Yield in Animal Rhodopsins: Beyond the One-Dimensional Landau-Zener ModelUV-Light-Induced Vibrational Coherences: The Key to Understand Kasha Rule Violation in trans-AzobenzeneSpectroscopic fingerprints of DNA/RNA pyrimidine nucleobases in third-order nonlinear electronic spectraIntramolecular photo-induced charge transfer in visual retinal chromophore mimics: electron density-based indices at the TD-DFT and post-HF levelsUltraviolet vision: photophysical properties of the unprotonated retinyl Schiff base in the Siberian hamster cone pigmentAnilino-Substituted Multicyanobuta-1,3-diene Electron Acceptors: TICT Molecules with Accessible Conical IntersectionsDynamics of chemical bond: general discussionLocal and Global Dynamics: general discussionTuning of Isomerization Rates in Indigo-Based PhotoswitchesAb initiosimulations of two-dimensional electronic spectra: The SOS//QM/MM approachBidimensional electronic spectroscopy on indole in gas phase and in water from first principlesMaking Fast Photoswitches Faster-Using Hammett Analysis to Understand the Limit of Donor-Acceptor Approaches for Faster Hemithioindigo PhotoswitchesModelling retinal chromophores photoisomerization: from minimal models in vacuo to ultimate bidimensional spectroscopy in rhodopsinsConical intersection seams in polyenes derived from their chemical composition
P50
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P50
description
hulumtues
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onderzoeker
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researcher
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հետազոտող
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name
Artur Nenov
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Artur Nenov
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Artur Nenov
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Artur Nenov
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Artur Nenov
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type
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Artur Nenov
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Artur Nenov
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Artur Nenov
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Artur Nenov
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Artur Nenov
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Artur Nenov
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Artur Nenov
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Artur Nenov
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Artur Nenov
@nl
Artur Nenov
@sl
P106
P1153
25931586100
P21
P31
P496
0000-0003-3071-5341