| Polyoxometalate‐soft matter composite materials: design strategies, applications, and future directions JH Kruse, M Langer, I Romanenko, I Trentin, D Hernández‐Castillo, ... Advanced functional materials 32 (51), 2208428, 2022 | 41 | 2022 |
| Quality threshold clustering of molecular dynamics: a word of caution R González-Alemán, D Hernández-Castillo, J Caballero, ... Journal of chemical information and modeling 60 (2), 467-472, 2019 | 41 | 2019 |
| BitClust: fast geometrical clustering of long molecular dynamics simulations R González-Alemán, D Hernández-Castillo, A Rodríguez-Serradet, ... Journal of Chemical Information and Modeling 60 (2), 444-448, 2019 | 24 | 2019 |
| Conceptual DFT analysis of the regioselectivity of 1, 3-dipolar cycloadditions: nitrones as a case of study RA Miranda-Quintana, MM González, D Hernández-Castillo, ... Journal of Molecular Modeling 23, 1-15, 2017 | 17 | 2017 |
| Diastereoselective synthesis of steroid–[60] fullerene hybrids and theoretical underpinning D Alonso, D Hernández-Castillo, L Almagro, R González-Alemán, ... The Journal of Organic Chemistry 85 (4), 2426-2437, 2020 | 16 | 2020 |
| Strong Ligand Stabilization Based on π‐Extension in a Series of Ruthenium Terpyridine Water Oxidation Catalysts S Amthor, D Hernández‐Castillo, B Maryasin, P Seeber, AK Mengele, ... Chemistry–A European Journal 27 (68), 16871-16878, 2021 | 13 | 2021 |
| Activation by oxidation and ligand exchange in a molecular manganese vanadium oxide water oxidation catalyst G Cárdenas, I Trentin, L Schwiedrzik, D Hernández-Castillo, GA Lowe, ... Chemical Science 12 (39), 12918-12927, 2021 | 12 | 2021 |
| Steroid–fullerene hybrids from epiandrosterone: synthesis, characterization and theoretical study L Almagro, D Hernández‐Castillo, O Ortiz, D Alonso, A Ruiz, J Coro, ... European Journal of Organic Chemistry 2018 (33), 4512-4522, 2018 | 9 | 2018 |
| Multiple Triplet Metal‐Centered Jahn‐Teller Isomers Determine Temperature‐Dependent Luminescence Lifetimes in [Ru(bpy)3]2+ D Hernández‐Castillo, REP Nau, MA Schmid, S Tschierlei, S Rau, ... Angewandte Chemie International Edition 62 (48), e202308803, 2023 | 8 | 2023 |
| BitQT: a graph-based approach to the quality threshold clustering of molecular dynamics R González-Alemán, D Platero-Rochart, D Hernández-Castillo, ... Bioinformatics 38 (1), 73-79, 2022 | 6 | 2022 |
| Geometrical distortions and charge transfer in munchnöne regio‐selectivity: A conceptual density functional study M Martinez Gonzalez, D Hernández‐Castillo, LA Montero‐Cabrera, ... International Journal of Quantum Chemistry 117 (24), e25444, 2017 | 6 | 2017 |
| Computation of Förster Resonance Energy Transfer in Lipid Bilayer Membranes R Jacobi, D Hernández-Castillo, N Sinambela, J Bösking, A Pannwitz, ... The Journal of Physical Chemistry A 126 (43), 8070-8081, 2022 | 5 | 2022 |
| Alignment and photooxidation dynamics of a perylene diimide chromophore in lipid bilayers N Sinambela, R Jacobi, D Hernández-Castillo, E Hofmeister, N Hagmeyer, ... Molecular Systems Design & Engineering 8 (7), 842-852, 2023 | 3 | 2023 |
| Mehrere Triplett‐Metall‐zentrierte Jahn–Teller‐Isomere bestimmen die temperaturabhängigen Lumineszenzlebensdauern in [Ru (bpy) 3] 2+ D Hernández‐Castillo, REP Nau, MA Schmid, S Tschierlei, S Rau, ... Angewandte Chemie 135 (48), e202308803, 2023 | 1 | 2023 |
| Guidelines to calculate non-radiative deactivation mechanisms of ruthenium tris (bipyridine) derivatives D Hernández-Castillo, I Eder, L González Coordination Chemistry Reviews 510, 215819, 2024 | | 2024 |
| Rücktitelbild: Mehrere Triplett‐Metall‐zentrierte Jahn–Teller‐Isomere bestimmen die temperaturabhängigen Lumineszenzlebensdauern in [Ru (bpy) 3] 2+(Angew. Chem. 48/2023) D Hernández‐Castillo, REP Nau, MA Schmid, S Tschierlei, S Rau, ... Angewandte Chemie 135 (48), e202315666, 2023 | | 2023 |
| Back Cover: Multiple Triplet Metal‐Centered Jahn‐Teller Isomers Determine Temperature‐Dependent Luminescence Lifetimes in [Ru(bpy)3]2+ (Angew. Chem. Int … D Hernández‐Castillo, REP Nau, MA Schmid, S Tschierlei, S Rau, ... Angewandte Chemie International Edition 62 (48), e202315666, 2023 | | 2023 |
| Origins of the Reactivity in 1, 3‐Dipolar Cycloadditions of Acyl Isocyanide Ylides JE Alfonso‐Ramos, R Van Lommel, D Hernández‐Castillo, F De Proft, ... European Journal of Organic Chemistry 26 (3), e202201028, 2023 | | 2023 |
| Cover Feature: Strong Ligand Stabilization Based on π‐Extension in a Series of Ruthenium Terpyridine Water Oxidation Catalysts (Chem. Eur. J. 68/2021) S Amthor, D Hernández‐Castillo, B Maryasin, P Seeber, AK Mengele, ... Chemistry–A European Journal 27 (68), 16802-16802, 2021 | | 2021 |
| Cover Feature: Steroid–Fullerene Hybrids from Epiandrosterone: Synthesis, Characterization and Theoretical Studyt (Eur. J. Org. Chem. 33/2018) L Almagro, D Hernández‐Castillo, O Ortiz, D Alonso, A Ruiz, J Coro, ... European Journal of Organic Chemistry 2018 (33), 4499-4499, 2018 | | 2018 |
Leticia GonzálezUniversity of Vienna, Faculty of Chemistry, Professor for Theoretical Chemistry在 univie.ac.at 的电子邮件经过验证
