| Radical chlorination of non-resonant heterobenzylic C‒H bonds and high-throughput diversification of heterocycles DL Golden, KM Flynn, S Aikonen, CM Hanneman, D Kalyani, SW Krska, ... Chem, 2024 | 1 | 2024 |
| Predicting Lewis Acidity: Machine Learning the Fluoride Ion Affinity of p‐Block‐Atom‐Based Molecules LM Sigmund, SS S, A Albers, P Erdmann, RS Paton, L Greb Angewandte Chemie International Edition 63 (17), e202401084, 2024 | 1 | 2024 |
| Dynamic Vertical Triplet Energies: A metric for predicting triplet energy transfer M Popescu, R Paton | | 2024 |
| Rapid Prediction of Conformationally-Dependent DFT-Level Descriptors using Graph Neural Networks for Carboxylic Acids and Alkyl Amines B Haas, M Hardy, SS SV, K Adams, C Coley, R Paton, M Sigman | | 2024 |
| Late-Stage “Benzenoid-to-Troponoid” Skeletal Modification of the Cephalotanes: Total Synthesis of Harringtonolide and Computational Analysis S Wiesler, G Sennari, MV Popescu, KE Gardner, K Aida, RS Paton, ... | 1 | 2024 |
| Bottom-Up Atomistic Descriptions of Top-Down Macroscopic Measurements: Computational Benchmarks for Hammett Electronic Parameters G Luchini, RS Paton ACS Physical Chemistry Au, 2024 | 1 | 2024 |
| Mechanistic Investigation of a Photocatalyst Model Reveals Function by Perylene-Like Closed Shell Super-Photoreductant Capable of Reducing Unactivated Arenes A Sau, NF Pompetti, AR Green, MV Popescu, RS Paton, GM Miyake, ... ACS Catalysis 14, 2252-2263, 2024 | | 2024 |
| Designing solvent systems using self-evolving solubility databases and graph neural networks Y Kim, H Jung, S Kumar, RS Paton, S Kim Chemical Science 15 (3), 923-939, 2024 | | 2024 |
| Harnessing triaryloxonium ions for aryne generation O Smith, MJ Hindson, A Sreenithya, V Tataru, RS Paton, JW Burton, ... Nature Synthesis 3 (1), 58-66, 2024 | 6 | 2024 |
| Electrochemical modification of polypeptides at selenocysteine AS Mackay, JWC Maxwell, MJ Bedding, SS Kulkarni, SA Byrne, ... Angewandte Chemie 135 (50), e202313037, 2023 | 3 | 2023 |
| Catalytic Effects of Active Site Conformational Change in the Allosteric Activation of Imidazole Glycerol Phosphate Synthase H Klem, JV Alegre-Requena, RS Paton ACS catalysis 13 (24), 16249-16257, 2023 | | 2023 |
| Synthesis and properties of allylic, benzylic, propargylic and allenylic oxonium ions HSS Chan, Y Li, JL Sutro, DS Brown, RS Paton, JW Burton | | 2023 |
| [18F] Difluorocarbene for positron emission tomography J Sap, V Gouverneur, C Meyer, J Ford, N Straathof, A Durr, M Lelos, ... Nuclear Medicine and Biology 126, 108487, 2023 | | 2023 |
| AQME: Automated quantum mechanical environments for researchers and educators JV Alegre‐Requena, S Sowndarya SV, R Pérez‐Soto, TM Alturaifi, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (5), e1663, 2023 | 16* | 2023 |
| An energy transfer mediated 4π spirocyclization intercepts the Staudinger β-lactam synthesis M Popescu, N Parker, Z Jia, P Solon, J Alegre-Requena, R Paton, ... | | 2023 |
| Exploring cuneanes as potential benzene isosteres and energetic materials: Scope and mechanistic investigations into regioselective rearrangements from cubanes JY Son, S Aikonen, N Morgan, AS Harmata, JJ Sabatini, RC Sausa, ... Journal of the American Chemical Society 145 (30), 16355-16364, 2023 | 15* | 2023 |
| Fluorochemicals from fluorspar via a phosphate-enabled mechanochemical process that bypasses HF C Patel, E André-Joyaux, JA Leitch, XM de Irujo-Labalde, F Ibba, J Struijs, ... Science 381 (6655), 302-306, 2023 | 20 | 2023 |
| Iridium-catalyzed asymmetric difunctionalization of C–C σ-bonds enabled by ring-strained boronate complexes HC Shen, MV Popescu, ZS Wang, L de Lescure, A Noble, RS Paton, ... Journal of the American Chemical Society 145 (30), 16508-16516, 2023 | 13 | 2023 |
| Metal‐Free Arylation of Benzothiophenes at C4 by Activation as their Benzothiophene S‐Oxides R Bisht, MV Popescu, Z He, AM Ibrahim, GEM Crisenza, RS Paton, ... Angewandte Chemie 135 (29), e202302418, 2023 | 4 | 2023 |
| Experimental and computational studies of the production of 1, 3-butadiene from 2, 3-butanediol using SiO2-supported H3PO4 derivatives JV Alegre-Requena, GR Hafenstine, X Huo, Y Guan, J Stunkel, ... Chemical Engineering Journal 466, 143346, 2023 | 1 | 2023 |
Juan V. Alegre-RequenaCSIC Tenured ScientistVerified email at csic.es
