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The Quest for Photoswitches Activated by Near-Infrared Light: A Theoretical Study of the Photochemistry of BF2 -Coordinated Azo Derivatives.How Does the Environment Affect the Absorption Spectrum of the Fluorescent Protein mKeima?Molecular modelling of the pH influence in the geometry and the absorbance spectrum of near-infrared TagRFP675 fluorescent protein.Modulating the photochemistry of bipyridylic compounds by symmetric substitutions.Bipyridyl derivatives as photomemory devices: a comparative electronic-structure study.Unveiling how an archetypal fluorescent protein operates: theoretical perspective on the ultrafast excited state dynamics of GFP variant S65T/H148D.Synthesis and properties of compressed dihydride complexes of iridium: theoretical and spectroscopic investigations.Quantum dynamics study of the excited-state double-proton transfer in 2,2'-bipyridyl-3,3'-diol.Electronic-structure and quantum dynamical study of the photochromism of the aromatic Schiff base salicylideneaniline.Study of the photochemical properties and conical intersections of [2,2'-bipyridyl]-3-amine-3'-ol.Charge-transfer pipi* excited state in the 7-azaindole dimer. A hybrid configuration interactions singles/time-dependent density functional theory description.Chromophore interactions leading to different absorption spectra in mNeptune1 and mCardinal red fluorescent proteins.Transient low-barrier hydrogen bond in the photoactive state of green fluorescent protein.Theoretical Computer-Aided Mutagenic Study on the Triple Green Fluorescent Protein Mutant S65T/H148D/Y145F.New insights into the structure-spectrum relationship in S65T/H148D and E222Q/H148D green fluorescent protein mutants: a theoretical assessment.Peek at the potential energy surfaces of the LSSmKate1 and LSSmKate2 proteins.Exploring the effects of intramolecular vibrational energy redistribution on the operation of the proton wire in green fluorescent protein.A Potential Energy Function for Heterogeneous Proton-Wires. Ground and Photoactive States of the Proton-Wire in the Green Fluorescent Protein.Operation of the proton wire in green fluorescent protein. A quantum dynamics simulation.Potential energy landscape of the photoinduced multiple proton-transfer process in the green fluorescent protein: classical molecular dynamics and multiconfigurational electronic structure calculations.Are there really low-barrier hydrogen bonds in proteins? The case of photoactive yellow protein.Theoretical study on the excited-state intramolecular proton transfer in the aromatic schiff base salicylidene methylamine: an electronic structure and quantum dynamical approach.Ultrafast action chemistry in slow motion: atomistic description of the excitation and fluorescence processes in an archetypal fluorescent protein.Photo-deactivation pathways of a double H-bonded photochromic Schiff base investigated by combined theoretical calculations and experimental time-resolved studies.A theoretical study of the photochemistry of indigo in its neutral and dianionic (leucoindigo) forms.A comparative study on the photochemistry of two bipyridyl derivatives: [2,2'-bipyridyl]-3,3'-diamine and [2,2'-bipyridyl]-3,3'-diolElectronic and quantum dynamical insight into the ultrafast proton transfer of 1-hydroxy-2-acetonaphthoneElongated dihydrogen versus compressed dihydride complexes: the temperature dependence of the H-D spin-spin coupling constant as a criterion to distinguish between themDetermination of the temperature dependence of the H-D spin-spin coupling constant and the isotope effect on the proton chemical shift for the compressed dihydride complex [CpIr(P-P)H2]2+A high-throughput computational approach to UV-Vis spectra in protein mutantsDeciphering the grounds of the suitability of acylhydrazones as efficient photoswitchesA theoretical assessment of factors causing different molecular volumes in isotopologues
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P50
description
hulumtues
@sq
researcher
@en
ricercatore
@it
wetenschapper
@nl
հետազոտող
@hy
name
Ricard Gelabert
@ast
Ricard Gelabert
@en
Ricard Gelabert
@es
Ricard Gelabert
@nl
Ricard Gelabert
@sl
type
label
Ricard Gelabert
@ast
Ricard Gelabert
@en
Ricard Gelabert
@es
Ricard Gelabert
@nl
Ricard Gelabert
@sl
prefLabel
Ricard Gelabert
@ast
Ricard Gelabert
@en
Ricard Gelabert
@es
Ricard Gelabert
@nl
Ricard Gelabert
@sl
P214
P1053
K-5249-2014
P106
P21
P214
P31
P3829
P496
0000-0001-6506-5786
P734
P735
P7859
viaf-305880420