Publications

  • 117. Beyond Tripeptides: Two-Step Active Machine Learning for Very Large Data sets

    J. Chem. Theory Comput. 2021, 17, 3221.

    van Teijlingen, A.; Tuttle, T.

    J. Chem. Theory Comput. 2021 17 3221.

    View Publication »

  • 116. Catalyst design in C–H activation: a case study in the use of binding free energies to rationalise intramolecular directing group selectivity in iridium catalysis

    Chem. Sci., 2021, 12, 6747.

    Kerr, W. J.; Knox, G. J.; Reid, M.; Tuttle, T.

    Chem. Sci. 2021 12 6747.

    View Publication »

  • 115. Mechanistic insights of evaporation-induced actuation in supramolecular crystals

    Nature Mater. 2021, 20, 403.

    Piotrowska, R.; Hesketh, T.; Wang, H.; Martin, A. R. G.; Bowering, D.; Zhang, C.; Hu, C. T.; McPhee, S. A.; Wang, T.; Park, Y.; Singla, P.; McGlone, T.; Florence, A.; Tuttle, T.; Ulijn, R. V.; Chen, X.

    Nature Mater. 2021 20 403.

    View Publication »

  • 114. Structurally Defined Ring-Opening and Insertion of Pinacolborane into Aluminium-Nitrogen Bonds of Sterically Demanding Dialkylaluminium Amides.

    Eur. J. Inor. Chem. 2021, 50.

    Pollard, V. A.; Kennedy, A. R.; McLellan, R.; Ross, D.; Tuttle, T.; Mulvey, R. E.

    Eur. J. Inorg. Chem. 2021 50.

    View Publication »