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Theoretical investigation of phosphinidene oxide polypyridine ruthenium(II) complexes: toward the design of a new class of photochromic compounds.Relaxation Dynamics in Photoexcited Chiral Molecules Studied by Time-Resolved Photoelectron Circular Dichroism: Toward Chiral FemtochemistryPhotochemical reactions in biological systems: probing the effect of the environment by means of hybrid quantum chemistry/molecular mechanics simulations.Hydrogen bonding controls excited-state decay of the photoactive yellow protein chromophore.Controlling the photoreactivity of the photoactive yellow protein chromophore by substituting at the p-coumaric acid groupTheoretical investigation on the photophysical properties of model ruthenium complexes with diazabutadiene ligands [Ru(bpy)(3-x)(dab)(x)](2+) (x = 1-3).Fluorescence of the perylene radical cation and an inaccessible D(0)/D(1) conical intersection: An MMVB, RASSCF, and TD-DFT computational study.Counterintuitive absence of an excited-state intramolecular charge transfer reaction with 2,4,6-tricyanoanilines. Experimental and computational results.The (N4C2)2- donor set as promising motif for bis(tridentate) iron(II) photoactive compounds.Spin-orbit effects on the photophysical properties of Ru(bpy)3(2+).Enantiomerization pathway and atropochiral stability of the BINAP ligand: a density functional theory study.Ligand selection in Ru(II) complexes for direct one-electron photooxidation of guanine: a combined computational and experimental study.A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes.Photostability via sloped conical intersections: a computational study of the pyrene radical cation.Is photoisomerization required for NO photorelease in ruthenium nitrosyl complexes?Theoretical characterization of the lowest triplet excited states of the tris-(1,4,5,8-tetraazaphenanthrene) ruthenium dication complex.Linkage Photoisomerization Mechanism in a Photochromic Ruthenium Nitrosyl Complex: New Insights from an MS-CASPT2 Study.Assessing Excited State Energy Gaps with Time-Dependent Density Functional Theory on Ru(II) Complexes.Efficient Photoswitch System Combining a Dimethyldihydropyrene Pyridinium Core and Ruthenium(II) Bis-Terpyridine Entities.Establishing the Two-Photon Linkage Isomerization Mechanism in the Nitrosyl Complex trans-[RuCl(NO)(py)4](2+) by DFT and TDDFT.Can a functionalized phosphine ligand promote room temperature luminescence of the [Ru(bpy)(tpy)]2+ core?A multi-addressable switch based on the dimethyldihydropyrene photochrome with remarkable proton-triggered photo-opening efficiency.Pivotal Role of a Pentacoordinate (3)MC State on the Photocleavage Efficiency of a Thioether Ligand in Ruthenium(II) Complexes: A Theoretical Mechanistic Study.Transient metal-centered states mediate isomerization of a photochromic ruthenium-sulfoxide complex.Towards the Limit of Atropochiral Stability: H-MIOP, an N-Heterocyclic Carbene Precursor and Cationic Analogue of the H-MOP LigandAdiabatic versus nonadiabatic photoisomerization in photochromic ruthenium sulfoxide complexes: a mechanistic picture from density functional theory calculationsReversing the relative 3MLCT-3MC order in Fe(ii) complexes using cyclometallating ligands: a computational study aiming at luminescent Fe(ii) complexesGiant Ising-type magnetic anisotropy in trigonal bipyramidal Ni(II) complexes: experiment and theoryA roaming wavepacket in the dynamics of electronically excited 2-hydroxypyridinePhosphoryl group as a strong σ-donor anionic phosphine-type ligand: a combined experimental and theoretical study on long-lived room temperature luminescence of the [Ru(tpy)(bpy)(Ph2PO)]+ complexUnravelling the S → O linkage photoisomerization mechanisms in cis- and trans-[Ru(bpy)2(DMSO)2](2+) using density functional theorySelf-assembled dimethyldihydropyrene-pyridyl substituted ligands with zinc(ii) meso-tetraphenylporphyrin via axial coordinationElectronic Excited States and UV-Vis Absorption Spectra of the Dihydropyrene/Cyclophanediene Photochromic Couple: a Theoretical InvestigationAll Visible Light Switch Based on the Dimethyldihydropyrene Photochromic CoreReference Energies for Double ExcitationsTheoretical Rationalization of the Dual Photophysical Behavior of C60Excited state tracking during the relaxation of coordination compoundsA Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Medium Sized MoleculesMultistep Photochemical Reactions of Polypyridine-Based Ruthenium Nitrosyl Complexes in DimethylsulfoxideProbing the photophysical capability of mono and bis(cyclometallated) Fe(ii) polypyridine complexes using inexpensive ground state DFT
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P50
description
hulumtues
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researcher
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wetenschapper
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հետազոտող
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name
Martial Boggio-Pasqua
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Martial Boggio-Pasqua
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Martial Boggio-Pasqua
@es
Martial Boggio-Pasqua
@nl
Martial Boggio-Pasqua
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type
label
Martial Boggio-Pasqua
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Martial Boggio-Pasqua
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Martial Boggio-Pasqua
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Martial Boggio-Pasqua
@nl
Martial Boggio-Pasqua
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prefLabel
Martial Boggio-Pasqua
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Martial Boggio-Pasqua
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Martial Boggio-Pasqua
@es
Martial Boggio-Pasqua
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Martial Boggio-Pasqua
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P108
P1053
M-1110-2015
P106
P21
P31
P3829
P496
0000-0001-6684-5223
P569
2000-01-01T00:00:00Z