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24 research data referenced

Research data referenced by Physical Chemistry.
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2026

  1. Computational hole mobilities in (pseudo-)amorphous organic semiconductors (molecular dynamics trajectories and docking clusters)

    Zenodo

  2. DATASET-In-situ Growth and Crystal Monitoring for High Efficiency Vacuum-Deposited Perovskite Based Solar Cells

    Zenodo

  3. Intercalation Favors DNA Covalent Photobinding in Photoresponsive Dual PDT/PCT Bimetallic Assemblies

    Zenodo

  4. Los debates en la enseñanza superior: desarrollo de una escala para evaluar su implementación y el impacto en el aprendizaje

    Zenodo

  5. Mechanistic Insights into Luminol Chemiluminescence: The Role of Peroxide Bond Cleavage and N₂ Loss

    Zenodo

2025

  1. DATA [1,6-Diazapyrene: A Well-Defined Small-Size Prototype System for Nitrogen-containing PAHs]

    Zenodo

  2. Neural network potential for pyrophosphate hydrolysis

    Zenodo

2024

  1. Data for "Influence of Wobbling Tryptophan and Mutations on PET Degradation Explored by QM/MM Free Energy Calculations" paper

    Zenodo

  2. Data of manuscript "Ultrasonic chemo-thermal degradation of commercial poly(butylene adipate-co-terephthalate) (PBAT) and thermoplastic starch (TPS) blends".

    Zenodo

  3. Dataset of the publication: Spin-Crossover Grafted Monolayer of a Co(II) Terpyridine Derivative Functionalized with Carboxylic Acid Groups

    Zenodo

  4. Replication Data for: Understanding Substrate Binding and Reactivity of Stearoyl-CoA Desaturase (SCD1) through Classical and Multiscale Molecular Dynamics Simulations

    KU Leuven RDR

  5. emle-engine

    Zenodo

2023

  1. Implementing Mesoporosity in Zeolitic Imidazolate Frameworks through Clip-Off Chemistry in Heterometallic Iron–Zinc ZIF-8

    Zenodo

  2. MM and QMMM trayectories from "Conformational Changes and ATP Hydrolysis in Zika Helicase. The Molecular Basis of a Biomolecular Motor Unveiled by Multiscale Simulations"

    Zenodo

  3. Previously unpublished water adsorption isotherm data related to the publication: Confined water cluster formation in water harvesting by metal organic frameworks: CAU-10-H versus CAU-10-CH₃

    4TU.ResearchData

  4. Previously unpublished water adsorption isotherm data related to the publication: Confined water cluster formation in water harvesting by metal organic frameworks: CAU-10-H versus CAU-10-CH₃

    4TU.ResearchData

  5. Synthetic control of correlated disorder in UiO-66 frameworks

    Zenodo

2022

  1. Datasets from "Electrostatic Embedding of Machine Learning Potentials"

    Zenodo

  2. Exploiting the Redox Activity of MIL-100(Fe) Carrier Enables Prolonged Carvacrol Antimicrobial Activity

    Zenodo

  3. Semiconductor Porous Hydrogen-Bonded Organic Frameworks Based on Tetrathiafulvalene Derivatives

    Zenodo