Showing 61 - 80 results of 113 for search '"physical organic chemistry"', query time: 0.11s Refine Results
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    Selectivity in organocatalysis - from qualitative to quantitative predictive models by Sterling, AJ, Zavitsanou, S, Ford, J, Duarte Gonzalez, FJ

    Published 2021
    “…Through representative examples we demonstrate how traditional physical organic chemistry tools in combination with machine learning models provide a powerful approach to achieve deeper understanding alongside greater predictive power.…”
    Journal article
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    Mechanism of biomolecular recognition of trimethyllysine by the fluorinated aromatic cage of KDM5A PHD3 finger by Pieters, BJGE, Wuts, MHM, Poater, J, Kumar, K, White, PB, Kamps, JJAG, Sherman, W, Pruijn, GJM, Paton, RS, Beuming, T, Bickelhaupt, FM, Mecinovic, J

    Published 2020
    “…Here we report physical-organic chemistry studies on the recognition of the positively charged trimethyllysine by the electron-rich aromatic cage containing PHD3 finger of KDM5A. …”
    Journal article
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    Putting Chemical Knowledge to Work in Machine Learning for Reactivity by Kjell Jorner

    Published 2023-02-01
    “… Machine learning has been used to study chemical reactivity for a long time in fields such as physical organic chemistry, chemometrics and cheminformatics. …”
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    Article
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    Solvent and solvation effects on reactivities and mechanisms of phospho group transfers from phosphate and phosphinate esters to nucleophiles by Ikenna Onyido, Onyeka F. Obumselu, Chinyelu I. Egwuatu, Nkechi H. Okoye

    Published 2023-04-01
    “…The outcome of this exercise shows that a systematized study of solvent effects needs to be undertaken to fully understand the physical organic chemistry of the transfer of phosphates and related molecules from aqueous to substantially hydrophobic environments, since significant knowledge gaps exist.…”
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    Article
  20. 80

    Bioorthogonal Reagents: Design, Synthesis, and Reactivity by Abularrage, Nile S.

    Published 2023
    “…This study ranges from the development of 4H-pyrazoles as bioorthogonal reagents to an exploration of the physical organic chemistry of 5-membered cyclic dienes that accelerate or impede their reactivity in Diels–Alder reactions. …”
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    Thesis