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SynTech CDT Publications 2021
1.
Multi-task Bayesian Optimization of Chemical Reactions
K. Felton, D. Wigh, A. Lapkin
ChemRxiv, 2021, (10.26434/chemrxiv.13250216.v2)
2.
Summit: Benchmarking Machine Learning for Reaction Optimisation
K. Felton, J. Rittig, A. Lapkin
Chemistry Methods, 2021, 1, 2, 116-122 (10.1002/cmtd.202000051)
3.
Automated Calibration of a Poly (oxymethylene) Dimethyl Ether Oxidation Mechanism Using Knowledge-Graph Technology
J. Bai, R. Geeson, F. Farazi, S. Mosbach, J. Akroyd, EJ. Bringley, M. Kraft
JCIM, 2021, ISSN 1473 – 4273 (10.1021/acs.jcim.0c01322)
5.
Investigating CO2 Methanation on Ni and Ru: DFT Assisted Microkinetic Analysis
O. Mohan, S. Shambhawi, R. Xu, A. Lapkin, SH. Mushrif
ChemCatChem, 2021, 13, 10, 2420-2433 (10.1002/cctc.202100073)
6.
Photoredox-Catalyzed Dehydrogenative Csp3–Csp2 Cross-Coupling of Alkylarenes to Aldehydes in Flow
O. Griffiths, H. Esteves, Y. Chen, K. Sowa, O. May, P. Morse, D. Blakemore, S. Ley
J. Org. Chem. 2021, 86, 19, 13559–13571 (10.1021/acs.joc.1c01621)
7.
Modular Photocatalytic Synthesis of α-Trialkyl-α-Tertiary Amines
JH. Blackwell, GR. Harris, MA. Smith, MJ. Gaunt
J. Am. Chem. Soc. 2021,143, 15946 (10.1021/jacs.1c07402)
8.
Thiol-Mediated α-Amino Radical Formation via Visible-Light-Activated Ion-Pair Charge-Transfer Complexes
K. Kohara, A. Trowbridge, MA. Smith, MJ. Gaunt
J. Am. Chem. Soc. 2021, 143, 19268 (10.1021/jacs.1c09445)
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