Properties

  • 133. Triacylglyceride Melting Point Determination Using Coarse-Grained Molecular Dynamics

    J. Comput. Chem., 2023, 44, 1795.

    Cordina, R. J.; Smith, B.; Tuttle, T.

    J. Comput. Chem. 2023 44 1795.

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  • 131. Computational Modeling of 4d and 5d Transition Metal Catalysts

    Chemistry, Molecular Sciences and Chemical Engineering, 2023, 10.1016/B978-0-12-821978-2.00065-9

    Urquhart, R. J.; Tuttle, T.

    Chemistry, Molecular Sciences and Chemical Engineering 2023

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  • 129. Integrating Computation, Experiment, and Machine Learning in the Design of Peptide-Based Supramolecular Materials and Systems

    Angew. Chem. Int. Ed., 2023, 62, e202218067

    Ramakrishnan, M.; van Teijlingen, A.; Tuttle, T.

    Angew. Chem. Int. Ed. 2023 62 e202218067

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  • 128. COGITO: A Coarse-Grained Force Field for the Simulation of Macroscopic Properties of Triacylglycerides

    Acc. Chem. Res. 2023, 19, 4, 1333-1341

    Cordina, R. J.; Smith, B.; Tuttle, T.

    J. Chem. Theory Comput. 2023 19 1333-1341

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