about
Computational insights into the photodeactivation dynamics of phosphors for OLEDs: a perspective.Spectroscopic and second-order nonlinear optical properties of Ruthenium(ii) complexes: a DFT/MRCI and ADC(2) study.Influence of para substituents in controlling photophysical behavior and different non-covalent weak interactions in zinc complexes of a phenol based "end-off" compartmental ligand.Progress and challenges in the calculation of electronic excited states.The short device lifetimes of blue PhOLEDs: insights into the photostability of blue Ir(iii) complexes.Unveiling photodeactivation pathways for a new iridium(III) cyclometalated complex.Assessing the density functional theory-based multireference configuration interaction (DFT/MRCI) method for transition metal complexes.1,2,4,5-tetrazine: an unprecedented micro4-coordination that enhances ability for anion pi interactions.Unravelling the quenching mechanisms of a luminescent Ru(II) probe for Cu(II).Photoinduced electron transfer in supramolecular ruthenium-porphyrin assemblies.Revising Intramolecular Photoinduced Electron Transfer (PET) from First-Principles.Spectroscopic Properties of Azobenzene-Based pH Indicator Dyes: A Quantum Chemical and Experimental Study.Photochemical behavior of (bisphosphane)(η(2)-tolane)Pt(0) complexes. Part B: An insight from DFT calculations.Substituent effects on the light-induced C-C and C-Br bond activation in (bisphosphine)(eta2-tolane)Pt0 complexes. A TD-DFT study.Thermal equilibration between excited states or solvent effects: unveiling the origins of anomalous emissions in heteroleptic Ru(ii) complexes.Quantitative prediction of photoluminescence quantum yields of phosphors from first principles.A luminescent [Pd4Ru8]24+ supramolecular cageOn the Reactivity of Tetrakis(trifluoromethyl)cyclopentadienone towards Carbon-Based Lewis BasesExploring the Triplet Excited State Potential Energy Surfaces of a Cyclometalated Pt(II) Complex: Is There Non-Kasha Emissive Behavior?RASPT2/RASSCF vs Range-Separated/Hybrid DFT Methods: Assessing the Excited States of a Ru(II)bipyridyl ComplexThe Radiative Decay Rates Tune the Emissive Properties of Ruthenium(II) Polypyridyl Complexes: A Computational StudyDesign of acidochromic dyes for facile preparation of pH sensor layersInterplay between anion-π and hydrogen bonding interactionsVery Long-Range Effects: Cooperativity between Anion-π and Hydrogen-Bonding InteractionsInterplay between Edge-to-Face Aromatic and Hydrogen-Bonding InteractionsA Theoretical Study of Anion–π Interactions in Seven-Membered RingsInduced-Polarization Energy Map: A Helpful Tool for Predicting Geometric Features of Anion-π ComplexesMolecular Structure-Intersystem Crossing Relationship of Heavy-Atom-Free BODIPY Triplet PhotosensitizersElectronic structure of N₂P₂ four-membered ringsMultiple Anti-Kasha Emissions in Transition-Metal ComplexesFacial and Meridional Isomers of Tris(bidentate) Ir(III) Complexes: Unravelling Their Different Excited State ReactivityA Solid-State Luminescent Cd(II) Supramolecular Coordination Framework Based on Mixed Luminophores as a Sensor for Discriminatively Selective Detection of Amine VaporsBOPAHY: a doubly chelated highly fluorescent pyrrole-acyl hydrazone -BF2 chromophore
P50
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P50
description
investigador
@es
researcher
@en
wetenschapper
@nl
name
Daniel Escudero
@en
Daniel Escudero
@nl
type
label
Daniel Escudero
@en
Daniel Escudero
@nl
prefLabel
Daniel Escudero
@en
Daniel Escudero
@nl
P2456
P31
P496
0000-0002-1777-8578