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Leonov, A. I. et al. (2024) An integrated self-optimizing programmable chemical synthesis and reaction engine. Nature Communications, 15, 1240. (doi: 10.1038/s41467-024-45444-3) (PMID:38336880) (PMCID:PMC10858227)

Bell, N. L. , Boser, F., Bubliauskas, A., Willcox, D. R., Sandoval Luna, V. E. and Cronin, L. (2024) Autonomous execution of highly reactive chemical transformations in the Schlenkputer. Nature Chemical Engineering, 1, pp. 180-189. (doi: 10.1038/s44286-023-00024-y)

Thompson, J. A. and Vila-Nadal, L. (2024) Computation of 31P NMR chemical shifts in Keggin−based lacunary polyoxotungstates. Dalton Transactions, 53(2), pp. 564-571. (doi: 10.1039/D3DT02694A) (PMID:38054391)

Matysiak, B. M., Thomas, D. and Cronin, L. (2023) Reaction kinetics using a Chemputable framework for data collection and analysis. Angewandte Chemie (International Edition), (doi: 10.1002/anie.202315207) (PMID:38155102) (Early Online Publication)

Malcolm, D. and Vilà-Nadal, L. (2023) Computational study into the effects of countercations on the [P₈W₄₈O₁₈₄]⁴⁰⁻ polyoxometalate wheel. ACS Organic and Inorganic Au, 3(5), pp. 274-282. (doi: 10.1021/acsorginorgau.3c00014)

Thompson, J. A., González-Cabaleiro, R. and Vilà-Nadal, L. (2023) Reducing systematic uncertainty in computed redox potentials for aqueous transition-metal-substituted polyoxotungstates. Inorganic Chemistry, 62(31), pp. 12260-12271. (doi: 10.1021/acs.inorgchem.3c01115) (PMID:37489885)

Wang, H., Manzano, J. S., Kitson, P. J., Mullin, M., Lin, C.-G., Slowing, I. I. and Cronin, L. (2023) Digitizing protocols into single reactors for the one-pot synthesis of nanomaterials. Matter, 6(7), pp. 2383-2394. (doi: 10.1016/j.matt.2023.05.029)

Jiang, Y., Sharma, A. and Cronin, L. (2023) An accelerated method for investigating spectral properties of dynamically evolving nanostructures. Journal of Physical Chemistry Letters, 14(16), pp. 3929-3938. (doi: 10.1021/acs.jpclett.3c00395) (PMID:37078273) (PMCID:PMC10150391)

M. Mehr, S. H. , Caramelli, D. and Cronin, L. (2023) Digitizing chemical discovery with a Bayesian explorer for interpreting reactivity data. Proceedings of the National Academy of Sciences of the United States of America, 120(17), e2220045120. (doi: 10.1073/pnas.2220045120) (PMID:37068251)

Manzano, J. S., Hou, W., Zalesskiy, S. S., Frei, P., Wang, H., Kitson, P. J. and Cronin, L. (2022) An autonomous portable platform for universal chemical synthesis. Nature Chemistry, 14(11), pp. 1311-1318. (doi: 10.1038/s41557-022-01016-w) (PMID:36202987)

Jiang, Y., Salley, D., Sharma, A. , Keenan, G., Mullen, M. and Cronin, L. (2022) An artificial intelligence enabled chemical synthesis robot for exploration and optimization of nanomaterials. Science Advances, 8(40), eabo2626. (doi: 10.1126/sciadv.abo2626) (PMID:36206340) (PMCID:PMC9544322)

Rohrbach, S. et al. (2022) Digitization and validation of a chemical synthesis literature database in the ChemPU. Science, 377(6602), pp. 172-180. (doi: 10.1126/science.abo0058)

Bubliauskas, A., Blair, D. J., Powell-Davies, H., Kitson, P. J., Burke, M. and Cronin, L. (2022) A practical approach to combine modular reactions and reactionware for the digitization of chemical synthesis. Angewandte Chemie (International Edition), 61(24), e202116108. (doi: 10.1002/anie.202116108) (PMID:35257447)

Caramelli, D., Granda, J. M., Mehr, S. H. M. , Cambie, D. , Henson, A. B. and Cronin, L. (2021) Discovering new chemistry with an autonomous robotic platform driven by a reactivity-seeking neural network. ACS Central Science, 7(11), pp. 1821-1830. (doi: 10.1021/acscentsci.1c00435)

Hammer, A. J.S., Leonov, A. I., Bell, N. L. and Cronin, L. (2021) Chemputation and the standardization of chemical informatics. JACS Au, 1(10), pp. 1572-1587. (doi: 10.1021/jacsau.1c00303) (PMCID:PMC8549037)

González-Cabaleiro, R. , Thompson, J. A. and Vilà-Nadal, L. (2021) Looking for options to sustainably fixate nitrogen. Are molecular metal oxides catalysts a viable avenue? Frontiers in Chemistry, 9, 742565. (doi: 10.3389/fchem.2021.742565)

Vilà-Nadal, L. (2021) POMzites: a roadmap for inverse design in metal oxide chemistry. International Journal of Quantum Chemistry, 121(5), e26493. (doi: 10.1002/qua.26493)

Hou, W., Bubliauskas, A., Kitson, P. J., Francoia, J.-P., Powell-Davies, H., Parrilla Gutierrez, J. M. , Frei, P., Manzano, J. S. and Cronin, L. (2021) Automatic generation of 3D-printed reactionware for chemical synthesis digitization using ChemSCAD. ACS Central Science, 7(2), pp. 212-218. (doi: 10.1021/acscentsci.0c01354) (PMCID:PMC7908023)

Wilbraham, L. , Mehr, S. H. M. and Cronin, L. (2021) Digitizing chemistry using the chemical processing unit: from synthesis to discovery. Accounts of Chemical Research, 54(2), pp. 253-262. (doi: 10.1021/acs.accounts.0c00674) (PMID:33370095)

This list was generated on Mon Feb 26 08:31:41 2024 GMT.