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David Hernández-Castillo
David Hernández-Castillo
Institute of Theoretical Chemistry, University of Vienna
Verified email at univie.ac.at - Homepage
Title
Cited by
Cited by
Year
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
192019
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 (8), 1-15, 2017
122017
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
102019
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
72020
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
42018
Geometrical distortions and charge transfer in munchnöne regio‐selectivity: A conceptual density functional study
M Martínez González, D Hernández‐Castillo, LA Montero‐Cabrera, ...
International Journal of Quantum Chemistry 117 (24), e25444, 2017
42017
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
32021
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
12022
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
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
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