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Tell Tuttle

University of Strathclyde

133

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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

2021 Chemical Science
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Beyond Tripeptides Two-Step Active Machine Learning for Very Large Data sets.

2021 Journal of Chemical Theory and Computation
- Alexander van Teijlingen
- Tell Tuttle
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Radical and ionic mechanisms in rearrangements of o-tolyl aryl ethers and amines initiated by the Grubbs-Stoltz reagent, Et3SiH/KOtBu

2021 Molecules
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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

2021 ChemRxiv
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Reproduction of macroscopic properties of unsaturated triacylglycerides using a modified NERD force field.

2021 Journal of Molecular Graphics & Modelling
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Expanding the Conformational Landscape of Minimalistic Tripeptides by Their O-Glycosylation.

2021 Journal of the American Chemical Society
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Artificial Intelligence and Health in Nepal.

2020 Nepal journal of epidemiology
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The natural product lepidiline A as an N-heterocyclic carbene ligand precursor in complexes of the type [Ir(cod)(NHC)PPh3)]X : synthesis, characterisation, and application in hydrogen isotope exchange catalysis

2020 Catalysts
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Computationally-Guided Development of a Chelated NHC-P Iridi-um(I) Complex for the Directed Hydrogen Isotope Exchange of Aryl Sulfones

2020 ACS Catalysis
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Computational Study on the Boundary Between the Concerted and Stepwise Mechanism of Bimolecular SNAr Reactions

2020 Journal of the American Chemical Society
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