Time-Resolved Resonant Inelastic X-ray Scattering Reveals How Orbital Symmetry Alignment Enables C-H Activation. [PDF]
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The Grand Canonical General-Purpose Reactivity Indicator: A Conceptual DFT Approach to Predict Molecular Reactivity and Experimental Electrophilicity and Nucleophilicity Scales. [PDF]
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Structure-Activity Relationships for 1,3-Dipolar Cycloaddition Reactions of Criegee Intermediates with Carbonyls. [PDF]
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Elucidating the Gas Phase Thermochemistry and the H‑Atom Abstraction Reactions of Triethyl Phosphite. [PDF]
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Asymmetric Carbonium Ion Catalysis: The Intramolecular Hydroalkoxylation of Cyclopropanes. [PDF]
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Reactivity of Curcumin: Theoretical Insight from a Systematic Density Functional Theory-Based Review. [PDF]
Int J Mol SciMolski M.
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Isolable radical cation and dication of dialumene. [PDF]
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Synthesis, spectroscopic investigation, theoretical insights via DFT and biological assessment of some isatin-based metal complexes. [PDF]
Sci RepEl-Gammal OA, El-Boraey HA, Tolan DA.
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Molecular blueprints for cleaner air: theoretical insights into Cu(i)-decorated heterocycles for greenhouse gas (CO/CO<sub>2</sub>/CH<sub>4</sub>) capture. [PDF]
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