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A New Straightforward Method for Lipophilicity logP Measurement using 19F NMR Spectroscopy
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The Grand Canonical General-Purpose Reactivity Indicator: A Conceptual DFT Approach to Predict Molecular Reactivity

Yoshio Barrera1,2, Tomás Rocha-Rinza1, Florian F Mulks2

  • 1Instituto de Química, Universidad Nacional Autónoma de México, Circuito Exterior, Ciudad Universitaria, Delegación Coyoacán, Ciudad de México C.P. 04510, México.

Journal of Chemical Theory and Computation
|October 2, 2025
PubMed

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