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Identifying High-Performance Metal–Organic Frameworks for Low-Temperature Oxygen Recovery from Helium by Computational Screening | Industrial & Engineering Chemistry Research
Data-Driven Approach to Coarse-Graining Simple Liquids in Confinement | Journal of Chemical Theory and Computation
Ultrastable atomically precise chiral silver clusters with more than 95% quantum efficiency | Science Advances
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Plasmonic Energetic Electrons Drive CO2 Reduction on Defective Cu2O | ACS Catalysis
Over 65% Sunlight Absorption in a 1 μm Si Slab with Hyperuniform Texture | ACS Photonics
Predicting Solvent Effects on SN2 Reaction Rates: Comparison of QM/MM, Implicit, and MM Explicit Solvent Models | The Journal of Physical Chemistry B
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Real and Hypothetical Intermediate‐Valence AgII/AgIII and AgII/AgI Fluoride Systems as Potential Superconductors - Grochala - 2001 - Angewandte Chemie International Edition - Wiley Online Library
Multigram-Scale Production of Hybrid Au-Si Nanomaterial by Laser Ablation in Liquid (LAL) for Temperature-Feedback Optical Nanosensing, Light-to-Heat Conversion, and Anticounterfeit Labeling | ACS Applied Materials & Interfaces
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Thiolate-Capped Silver Nanoparticles: Discerning Direct Grafting from Sulfidation at the Metal–Ligand Interface by Interrogating the Sulfur Atom | The Journal of Physical Chemistry C
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Optimal and continuous multilattice embedding | Science Advances
Enhanced Optical Responses of Au@Pd Core/Shell Nanobars | Langmuir
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Force Decomposition Analysis: A Method to Decompose Intermolecular Forces into Physically Relevant Component Contributions | The Journal of Physical Chemistry A
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Antibacterial Natural Products in Medicinal Chemistry—Exodus or Revival? - von Nussbaum - 2006 - Angewandte Chemie International Edition - Wiley Online Library
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Norm-Conserving 4f-in-Core Pseudopotentials and Basis Sets Optimized for Trivalent Lanthanides (Ln = Ce–Lu) | Journal of Chemical Theory and Computation