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David Hernández-Castillo
David Hernández-Castillo
Prae-doc at Institute of Theoretical Chemistry, University of Vienna
Adresse e-mail validée de univie.ac.at - Page d'accueil
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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
352019
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
322022
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
242019
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
162017
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
132020
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
122021
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
122021
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
92018
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
62017
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
52022
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
32023
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
32022
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
12023
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
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
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
This journal is© The Royal Society of Chemistry 2023
N Sinambela, R Jacobi, D Hernández-Castillo, E Hofmeister, N Hagmeyer, ...
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