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Exploring the pH- and Ligand-Dependent Flap Dynamics of Malarial Plasmepsin II | Journal of Chemical Information and Modeling
MOF-VR: A Virtual Reality Program for Performing and Visualizing Immersive Molecular Dynamics Simulations of Guest Molecules in Metal–Organic Frameworks | Journal of Chemical Information and Modeling
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Behavior of Linear and Nonlinear Dimensionality Reduction for Collective Variable Identification of Small Molecule Solution-Phase Reactions | Journal of Chemical Theory and Computation
Dynamical Study of Adsorbate-Induced Restructuring Kinetics in Bimetallic Catalysts Using the PdAu(111) Model System | Journal of the American Chemical Society
Tuning the Interfacial Dipole Moment of Spacer Cations for Charge Extraction in Efficient and Ultrastable Perovskite Solar Cells | The Journal of Physical Chemistry C
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Refined Force Field for Liquid Sulfolane with Particular Emphasis to Its Transport Characteristics | ACS Omega
Interstitial Hydrogen Anions: A Cause of p-Type Conductivity in CsSnI3 | The Journal of Physical Chemistry C
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Nanostructure of Gasification Charcoal (Biochar) | Environmental Science & Technology
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Thermodynamics and Intermolecular Interactions during the Insertion of Anionic Naproxen into Model Cell Membranes | The Journal of Physical Chemistry B
Understanding the Electronic Structure and Optical Properties of Vacancy-Ordered Double Perovskite A2BX6 for Optoelectronic Applications | Energy & Fuels
Chasing the Co-crystal Disappearing Polymorph with Ab Initio Methods | Crystal Growth & Design
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Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges | Chemical Reviews
Nanoscale Thin-Film Boiling Processes on Heterogeneous Surfaces | Langmuir
OH–···Au Hydrogen Bond and Its Effect on the Oxygen Reduction Reaction on Au(100) in Alkaline Media | The Journal of Physical Chemistry Letters
