Machine Learning Potential Analysis of Structural Transition in Cu and Ag Nanoparticles: From Icosahedral to Face-Centered Cubic. [PDF]
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First 4D-QSAR Study of Human Kynurenine 3 Monooxygenase (hKMO) Inhibitors: Integrating Chemical Space Networks and an Explainable Artificial Intelligence Platform for Neurodegenerative Disease Drug Discovery. [PDF]
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An Extension of the Stern-Volmer Equation for Thermally Activated Delayed Fluorescence (TADF) Photocatalysts. [PDF]
J Phys Chem LettLimburg B.
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Comprehensive Analysis of Pyrazoline Analogs: Exploring Their Antioxidant Potential as Biofuel Additives. [PDF]
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Exploring hyperfine coupling in molecular qubits. [PDF]
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Direct, Asymmetric, and Stereodivergent Reactions of <i>N</i>-Azidoacetyl Thioimides with Aromatic Acetals Catalyzed by Chiral Nickel(II) Complexes. An Approach to the Synthesis of <i>syn</i>- and <i>anti-</i>β-Alkoxy-α-amino Acids. [PDF]
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In Silico Identification of Potential Clovibactin-like Antibiotics Binding to Unique Cell Wall Precursors in Diverse Gram-Positive Bacterial Strains. [PDF]
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Allosteric Coupling in Full-Length Lyn Kinase Revealed by Molecular Dynamics and Network Analysis. [PDF]
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Computational evaluation of the oxidation of superoxide to molecular dioxygen mediated by NNNN-tetradentate copper complexes. [PDF]
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