List of works by Daniel Escudero

1,2,4,5-tetrazine: an unprecedented micro4-coordination that enhances ability for anion pi interactions.

scientific article

A Solid-State Luminescent Cd(II) Supramolecular Coordination Framework Based on Mixed Luminophores as a Sensor for Discriminatively Selective Detection of Amine Vapors

scientific article published on 21 April 2020

A Theoretical Study of Anion–π Interactions in Seven-Membered Rings

scientific article published on 01 June 2007

A luminescent [Pd4Ru8]24+ supramolecular cage

scientific article published on 01 June 2018

Assessing the density functional theory-based multireference configuration interaction (DFT/MRCI) method for transition metal complexes

scientific article published in May 2014

BOPAHY: a doubly chelated highly fluorescent pyrrole-acyl hydrazone -BF2 chromophore

scientific article published on 23 April 2020

Computational Protocol to Calculate the Phosphorescence Energy of Pt(II) Complexes: Is the Lowest Triplet Excited State Always Involved in Emission? A Comprehensive Benchmark Study

scientific article published in 2021

Computational insights into the photodeactivation dynamics of phosphors for OLEDs: a perspective.

scientific article published on May 2015

Design of acidochromic dyes for facile preparation of pH sensor layers

scientific article published on 22 October 2008

Electronic structure of N₂P₂ four-membered rings

scientific article published on 05 March 2014

Exploring the Triplet Excited State Potential Energy Surfaces of a Cyclometalated Pt(II) Complex: Is There Non-Kasha Emissive Behavior?

scientific article published on 07 October 2014

Facial and Meridional Isomers of Tris(bidentate) Ir(III) Complexes: Unravelling Their Different Excited State Reactivity

scientific article published on 17 September 2018

Formation of Excimers in Isoquinolinyl Pyrazolate Pt(II) Complexes: Role of Cooperativity Effects

scientific article published on 08 December 2020

Induced-Polarization Energy Map:  A Helpful Tool for Predicting Geometric Features of Anion-π Complexes

scientific article published on 01 November 2007

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.

scientific article published on 3 November 2015

Interplay between Edge-to-Face Aromatic and Hydrogen-Bonding Interactions

scientific article published on 11 June 2008

Interplay between anion-π and hydrogen bonding interactions

scientific article published on 01 January 2009

Molecular Structure-Intersystem Crossing Relationship of Heavy-Atom-Free BODIPY Triplet Photosensitizers

scientific article published on 15 May 2015

Multiple Anti-Kasha Emissions in Transition-Metal Complexes

scientific article published on 18 September 2019

On the Reactivity of Tetrakis(trifluoromethyl)cyclopentadienone towards Carbon-Based Lewis Bases

scientific article published on 11 December 2014

Photochemical behavior of (bisphosphane)(η(2)-tolane)Pt(0) complexes. Part B: An insight from DFT calculations.

scientific article published on 10 September 2010

Photoinduced electron transfer in supramolecular ruthenium-porphyrin assemblies.

scientific article

Progress and challenges in the calculation of electronic excited states.

scientific article published on 16 September 2011

Quantitative prediction of photoluminescence quantum yields of phosphors from first principles.

scientific article

RASPT2/RASSCF vs Range-Separated/Hybrid DFT Methods: Assessing the Excited States of a Ru(II)bipyridyl Complex

scientific article published on 05 December 2011

Revising Intramolecular Photoinduced Electron Transfer (PET) from First-Principles.

scientific article published on 30 August 2016

Spectroscopic Properties of Azobenzene-Based pH Indicator Dyes: A Quantum Chemical and Experimental Study.

scientific article published on 9 March 2011

Spectroscopic and second-order nonlinear optical properties of Ruthenium(ii) complexes: a DFT/MRCI and ADC(2) study

scientific article published on July 2015

Substituent effects on the light-induced C-C and C-Br bond activation in (bisphosphine)(eta2-tolane)Pt0 complexes. A TD-DFT study.

scientific article

The Radiative Decay Rates Tune the Emissive Properties of Ruthenium(II) Polypyridyl Complexes: A Computational Study

article

The short device lifetimes of blue PhOLEDs: insights into the photostability of blue Ir(iii) complexes

scientific article published on 26 September 2017

Thermal equilibration between excited states or solvent effects: unveiling the origins of anomalous emissions in heteroleptic Ru(ii) complexes.

scientific article

Unravelling the quenching mechanisms of a luminescent Ru(II) probe for Cu(II).

scientific article published on 14 January 2015

Unveiling photodeactivation pathways for a new iridium(III) cyclometalated complex.

scientific article published on 2 October 2013

Very Long-Range Effects: Cooperativity between Anion-π and Hydrogen-Bonding Interactions

scientific article published on 01 September 2009

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