Efficient implementations of quantum chemistry methods for strongly
correlated electrons
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Acylative Redox Dehydration of Carboxylic Acids and Benzoisothiazolones in the Synthesis of Thioesters with Triethylphosphite as a Terminal Reductant
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The Catalytic Aerobic Oxidation of Aldehyde and Alcohol Substrates with Redox-Active Ligand-Supported Earth-Abundant Metal Catalysts
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I. A New Approach to the Synthesis of a Key 5-Oxo-Pyridinyl
Molybdenum Scaffold. II. Oxidative Demetalation of
η3-Allylmolybdenum Complexes with an Oxygen
Nucleophile; Application to the Synthesis of (+)-Isofebrifugine
Analogs
4 of 10
Investigation and Modeling of Binding Modes of Novel Small-Molecule
Nox2 Inhibitors
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Automatic active space selection for the driven similarity renormalization group method
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Simulation of Membrane Proteins and Lipids: Dynamic Behavior of a Small Antimicrobial Peptide
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Structural Factors of Radical-Enhanced Intersystem Crossing of Organic Chromophores
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An Investigation of Methanol Photolysis Branching Ratios and Their Implications for Chemistry in the Interstellar Medium
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Developing Redox-Active Ligands That Incorporate Intramolecular Hydrogen Bonding: Novel Reactivity of High-Spin Co(II) Complexes