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Scopus Author ID: 57195102838

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Works (19)

Alignment and photooxidation dynamics of a perylene diimide chromophore in lipid bilayers

Molecular Systems Design & Engineering
2023 | Journal article
DOI: 10.1039/D2ME00243D
Contributors: Novitasari Sinambela; Richard Jacobi; David Hernández-Castillo; Elisabeth Hofmeister; Nina Hagmeyer; Benjamin Dietzek-Ivanšić; Leticia González; Andrea Pannwitz
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Crossref

Back Cover: Multiple Triplet Metal‐Centered Jahn‐Teller Isomers Determine Temperature‐Dependent Luminescence Lifetimes in [Ru(bpy)<sub>3</sub>]<sup>2+</sup> (Angew. Chem. Int. Ed. 48/2023)

Angewandte Chemie International Edition
2023-11-27 | Journal article
DOI: 10.1002/anie.202315666
Part of ISSN: 1433-7851
Part of ISSN: 1521-3773
Contributors: David Hernández‐Castillo; Roland E. P. Nau; Marie-Ann Schmid; Stefanie Tschierlei; Sven Rau; Leticia Gonzalez
Source: Self-asserted source
David Hernández-Castillo

Mehrere Triplett‐Metall‐zentrierte Jahn–Teller‐Isomere bestimmen die temperaturabhängigen Lumineszenzlebensdauern in [Ru(bpy)<sub>3</sub>]<sup>2+</sup>

Angewandte Chemie
2023-11-27 | Journal article
DOI: 10.1002/ange.202308803
Part of ISSN: 0044-8249
Part of ISSN: 1521-3757
Contributors: David Hernández‐Castillo; Roland E. P. Nau; Marie-Ann Schmid; Stefanie Tschierlei; Sven Rau; Leticia Gonzalez
Source: Self-asserted source
David Hernández-Castillo

Multiple Triplet Metal‐Centered Jahn‐Teller Isomers Determine Temperature‐Dependent Luminescence Lifetimes in [Ru(bpy)<sub>3</sub>]<sup>2+</sup>

Angewandte Chemie International Edition
2023-11-27 | Journal article
DOI: 10.1002/anie.202308803
Part of ISSN: 1433-7851
Part of ISSN: 1521-3773
Contributors: David Hernández‐Castillo; Roland E. P. Nau; Marie-Ann Schmid; Stefanie Tschierlei; Sven Rau; Leticia Gonzalez
Source: Self-asserted source
David Hernández-Castillo

Origins of the Reactivity in 1,3‐Dipolar Cycloadditions of Acyl Isocyanide Ylides

European Journal of Organic Chemistry
2023-01-17 | Journal article
DOI: 10.1002/ejoc.202201028
Contributors: Javier E. Alfonso‐Ramos; Ruben Van Lommel; David Hernández‐Castillo; Frank De Proft; Roy González‐Alemán; Erik V. Van der Eycken; Gerardo M. Ojeda‐Carralero
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Crossref

Polyoxometalate‐Soft Matter Composite Materials: Design Strategies, Applications, and Future Directions

Advanced Functional Materials
2022-12 | Journal article
DOI: 10.1002/adfm.202208428
Part of ISSN: 1616-301X
Part of ISSN: 1616-3028
Contributors: Jan‐Hendrik Kruse; Marcel Langer; Iuliia Romanenko; Ivan Trentin; David Hernández‐Castillo; Leticia González; Felix H. Schacher; Carsten Streb
Source: Self-asserted source
David Hernández-Castillo

Computation of Förster Resonance Energy Transfer in Lipid Bilayer Membranes

The Journal of Physical Chemistry A
2022-11-03 | Journal article
DOI: 10.1021/acs.jpca.2c04524
Part of ISSN: 1089-5639
Part of ISSN: 1520-5215
Contributors: Richard Jacobi; David Hernández-Castillo; Novitasari Sinambela; Julian Bösking; Andrea Pannwitz; Leticia Gonzalez
Source: Self-asserted source
David Hernández-Castillo

Activation by oxidation and ligand exchange in a molecular manganese vanadium oxide water oxidation catalyst

Chemical Science
2021 | Journal article
DOI: 10.1039/D1SC03239A
Contributors: Gustavo Cárdenas; Ivan Trentin; Ludwig Schwiedrzik; David Hernández-Castillo; Grace A. Lowe; Julian Kund; Christine Kranz; Sarah Klingler; Robert Stach; Boris Mizaikoff et al.
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Crossref

Inside front cover

Chemical Science
2021 | Journal article
DOI: 10.1039/d1sc90213j
Part of ISSN: 2041-6520
Part of ISSN: 2041-6539
Source: Self-asserted source
David Hernández-Castillo

BitQT: a graph-based approach to the quality threshold clustering of molecular dynamics

Bioinformatics
2021-12-22 | Journal article
DOI: 10.1093/bioinformatics/btab595
Contributors: Roy González-Alemán; Daniel Platero-Rochart; David Hernández-Castillo; Erix W Hernández-Rodríguez; Julio Caballero; Fabrice Leclerc; Luis Montero-Cabrera; Lenore Cowen
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Crossref

Cover Feature: Strong Ligand Stabilization Based on π‐Extension in a Series of Ruthenium Terpyridine Water Oxidation Catalysts (Chem. Eur. J. 68/2021)

Chemistry – A European Journal
2021-12-06 | Journal article
DOI: 10.1002/chem.202104069
Part of ISSN: 0947-6539
Part of ISSN: 1521-3765
Contributors: Sebastian Amthor; David Hernández‐Castillo; Boris Maryasin; Phillip Seeber; Alexander K. Mengele; Stefanie Gräfe; Leticia González; Sven Rau
Source: Self-asserted source
David Hernández-Castillo
grade
Preferred source (of 2)‎

Activation by oxidation and ligand exchange in a molecular manganese vanadium oxide water oxidation catalyst

2021-06-18 | Preprint
DOI: 10.26434/chemrxiv-2021-7w62s
Contributors: Gustavo Cardenas; Ivan Trentin; Ludwig Schwiedrzik; David Hernández-Castillo; Grace A. Lowe; Julian Kund; Christine Kranz; Sarah Klingler; Robert Stach; Boris Mizaikoff et al.
Source: Self-asserted source
David Hernández-Castillo

BitClust: Fast Geometrical Clustering of Long Molecular Dynamics Simulations

Journal of Chemical Information and Modeling
2020-02-24 | Journal article
DOI: 10.1021/acs.jcim.9b00828
Contributors: Roy González-Alemán; David Hernández-Castillo; Alejandro Rodríguez-Serradet; Julio Caballero; Erix W. Hernández-Rodríguez; Luis Montero-Cabrera
Source: check_circle
Crossref

Quality Threshold Clustering of Molecular Dynamics: A Word of Caution

Journal of Chemical Information and Modeling
2020-02-24 | Journal article
DOI: 10.1021/acs.jcim.9b00558
Part of ISSN: 1549-9596
Part of ISSN: 1549-960X
Contributors: Roy Gonzalez-Aleman; David Hernández-Castillo; Julio Caballero; Luis A. Montero
Source: Self-asserted source
David Hernández-Castillo

Diastereoselective Synthesis of Steroid–[60]Fullerene Hybrids and Theoretical Underpinning

The Journal of Organic Chemistry
2020-02-21 | Journal article
DOI: 10.1021/acs.joc.9b03121
Contributors: Dayana Alonso; David Hernández-Castillo; Luis Almagro; Roy González-Alemán; Dolores Molero; M. Ángeles Herranz; Erick Medina-Páez; Julieta Coro; Roberto Martínez-Álvarez; Margarita Suárez et al.
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Crossref

Cover Feature: Steroid–Fullerene Hybrids from Epiandrosterone: Synthesis, Characterization and Theoretical Studyt (Eur. J. Org. Chem. 33/2018)

European Journal of Organic Chemistry
2018-09-09 | Journal article
DOI: 10.1002/ejoc.201801252
Contributors: Luis Almagro; David Hernández‐Castillo; Orlando Ortiz; Dayana Alonso; Alberto Ruiz; Julieta Coro; María Ángeles Herranz; Dolores Molero; Roberto Martínez‐Álvarez; Margarita Suárez et al.
Source: check_circle
Crossref

Steroid–Fullerene Hybrids from Epiandrosterone: Synthesis, Characterization and Theoretical Study

European Journal of Organic Chemistry
2018-09-09 | Journal article
DOI: 10.1002/ejoc.201800622
Contributors: Luis Almagro; David Hernández‐Castillo; Orlando Ortiz; Dayana Alonso; Alberto Ruiz; Julieta Coro; María Ángeles Herranz; Dolores Molero; Roberto Martínez‐Álvarez; Margarita Suárez et al.
Source: check_circle
Crossref

Conceptual DFT analysis of the regioselectivity of 1,3-dipolar cycloadditions: nitrones as a case of study

Journal of Molecular Modeling
2017 | Journal article
DOI: 10.1007/s00894-017-3382-0
EID:

2-s2.0-85025471134
Contributors: Miranda-Quintana, R.A.; González, M.M.; Hernández-Castillo, D.; Montero-Cabrera, L.A.; Ayers, P.W.; Morell, C.
Source: Self-asserted source
David Hernández-Castillo via Scopus - Elsevier

Geometrical distortions and charge transfer in munchnöne regio-selectivity: A conceptual density functional study

International Journal of Quantum Chemistry
2017 | Journal article
DOI: 10.1002/qua.25444
EID:

2-s2.0-85026479806
Contributors: Martínez González, M.; Hernández-Castillo, D.; Montero-Cabrera, L.A.; Miranda-Quintana, R.A.
Source: Self-asserted source
David Hernández-Castillo via Scopus - Elsevier

Peer review (4 reviews for 3 publications/grants)

Review activity for Catalysis today. (1)
Review activity for Communications chemistry. (1)
Review activity for Nature communications (2)
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