A Brief Introduction to Chemical Reaction Optimization

 

CJ. Taylor*, A. Pomberger, K. Felton, R. Grainger, M. Barecka, TW. Chamberlain, RA. Bourne, CN. Johnson, A. Lapkin*

 

Chem. Rev. 2023, 123, 6, 3089-3126 (10.1021/acs.chemrev.2c00798) 

Quantitative In Silico Prediction of the Rate of Protodeboronation by a Mechanistic Density Functional Theory-Aided Algorithm

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D. Wigh, M. Tissot, P. Pasau, J. Goodman, A. Lapkin*

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Phys. Chem. A, 2023, 127, 11, 2628-2636 (10.1021/acs.jpca.2c08250)

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Micro-kinetics analysis based on partial reaction networks to compare catalysts performances for methane dry reforming reaction

 

S. Shambhawi, JM. Weber, A. Lapkin*

 

CEJ., 2023, 466, 143212 (10.1016/j.cej.2023.143212) 

ML-SAFT: A machine learning framework for PCP-SAFT parameter prediction 

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K. Felton, L. Rasßpe-Lange, J. Rittig, K. Leonhard, A. Mitsos, J. Meyer-Kirschner, C. Knösche, A. Lapkin

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ChemRxiv, 2023, 1  (10.26434/chemrxiv-2023-j1z06)

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Disulfide re-bridging reagents for single-payload antibody-drug conjugates

 

T. A. King, S. J. Walsh, M. Kapun, T. Wharton, S. Krajčovičová, M. S. Glossop, D. R. Spring

 

Chem. Commun., 2023, Advance Article (10.1039/D3CC02980H)