| Progress and challenges in the calculation of electronic excited states L González, D Escudero, L Serrano‐Andrés ChemPhysChem 13 (1), 28-51, 2012 | 469 | 2012 |
| Revising intramolecular photoinduced electron transfer (PET) from first-principles D Escudero Accounts of Chemical Research 49 (9), 1816-1824, 2016 | 313 | 2016 |
| Phenyl-1H-[1,2,3]triazoles as New Cyclometalating Ligands for Iridium(III) Complexes B Beyer, C Ulbricht, D Escudero, C Friebe, A Winter, L González, ... Organometallics 28 (18), 5478-5488, 2009 | 181 | 2009 |
| A Heteroleptic Bis (tridentate) Ruthenium (II) Complex of a Click‐Derived Abnormal Carbene Pincer Ligand with Potential for Photosensitzer Application B Schulze, D Escudero, C Friebe, R Siebert, H Görls, U Köhn, E Altuntas, ... Chemistry-a European Journal 17 (20), 5494, 2011 | 150 | 2011 |
| Molecular structure–intersystem crossing relationship of heavy-atom-free BODIPY triplet photosensitizers S Ji, J Ge, D Escudero, Z Wang, J Zhao, D Jacquemin The Journal of organic chemistry 80 (11), 5958-5963, 2015 | 142 | 2015 |
| Anion− π interactions in bisadenine derivatives: a combined crystallographic and theoretical study A Garcia-Raso, FM Albertí, JJ Fiol, A Tasada, M Barceló-Oliver, E Molins, ... Inorganic chemistry 46 (25), 10724-10735, 2007 | 120 | 2007 |
| The short device lifetimes of blue PhOLEDs: insights into the photostability of blue Ir (III) complexes D Jacquemin, D Escudero Chemical Science 8 (11), 7844-7850, 2017 | 97 | 2017 |
| Interplay between anion‐π and hydrogen bonding interactions D Escudero, A Frontera, D Quiñonero, PM Deyà Journal of computational chemistry 30 (1), 75-82, 2009 | 94 | 2009 |
| Very long‐range effects: cooperativity between anion–π and hydrogen‐bonding interactions X Lucas, C Estarellas, D Escudero, A Frontera, D Quiñonero, PM Deyà ChemPhysChem 10 (13), 2256-2264, 2009 | 93 | 2009 |
| Computational insights into the photodeactivation dynamics of phosphors for OLEDs: a perspective D Escudero, D Jacquemin Dalton Transactions 44 (18), 8346-8355, 2015 | 90 | 2015 |
| Interplay between cation-π and hydrogen bonding interactions D Escudero, A Frontera, D Quiñonero, PM Deyà Chemical Physics Letters 456 (4-6), 257-261, 2008 | 85 | 2008 |
| Quantitative prediction of photoluminescence quantum yields of phosphors from first principles D Escudero Chemical Science 7 (2), 1262-1267, 2016 | 84 | 2016 |
| 1, 2, 4, 5-Tetrazine: an unprecedented μ 4-coordination that enhances ability for anion⋯ π interactions A Il'ya, D Escudero, A Frontera, PV Solntsev, EB Rusanov, AN Chernega, ... Dalton Transactions, 2856-2864, 2009 | 84 | 2009 |
| General approach to compute phosphorescent OLED efficiency X Zhang, D Jacquemin, Q Peng, Z Shuai, D Escudero The Journal of Physical Chemistry C 122 (11), 6340-6347, 2018 | 83 | 2018 |
| Modulation of solid‐state aggregation of square‐planar Pt (II) based emitters: enabling highly efficient deep‐red/near infrared electroluminescence WC Chen, C Sukpattanacharoen, WH Chan, CC Huang, HF Hsu, D Shen, ... Advanced Functional Materials 30 (25), 2002494, 2020 | 81 | 2020 |
| Exploring the triplet excited state potential energy surfaces of a cyclometalated Pt (II) complex: is there non-Kasha emissive behavior? D Escudero, W Thiel Inorganic chemistry 53 (20), 11015-11019, 2014 | 78 | 2014 |
| Ruthenium (II) Photosensitizers of Tridentate Click‐Derived Cyclometalating Ligands: A Joint Experimental and Computational Study B Schulze, D Escudero, C Friebe, R Siebert, H Görls, S Sinn, M Thomas, ... Chemistry–A European Journal 18 (13), 4010-4025, 2012 | 78 | 2012 |
| Red thermally activated delayed fluorescence and the intersystem crossing mechanisms in compact naphthalimide–phenothiazine electron donor/acceptor dyads G Tang, AA Sukhanov, J Zhao, W Yang, Z Wang, Q Liu, VK Voronkova, ... The Journal of Physical Chemistry C 123 (50), 30171-30186, 2019 | 75 | 2019 |
| MP2 Study of synergistic effects between X–H/π (X= C, N, O) and π–π interactions D Quiñonero, A Frontera, D Escudero, P Ballester, A Costa, PM Deyà Theoretical Chemistry Accounts 120, 385-393, 2008 | 73 | 2008 |
| Anion–π, Lone‐Pair–π, π–π and Hydrogen‐Bonding Interactions in a CuII Complex of 2‐Picolinate and Protonated 4,4′‐Bipyridine: Crystal Structure and … C Biswas, MGB Drew, D Escudero, A Frontera, A Ghosh European Journal of Inorganic Chemistry 2009 (15), 2238-2246, 2009 | 71 | 2009 |
