Publications – Page 2

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Pythonic Chemistry: The Beginner’s Guide to Digital Chemistry

Heras-Domingo, J.; Garay-Ruiz, D.

J. Chem. Educ. 2024, DOI: 10.1021/acs.jchemed.4c00840.
Descriptors for Electrochemical CO2 Reduction in Imidazolium-Based Electrolytes

Dattila, F.; Fortunati, A.; Zammillo, F.; Guzmán, H.; López, N.; Hernández, S.

GO TO OPEN ACCESS ACS Catal. 2024, 14, 16166–16174, DOI: 10.1021/acscatal.4c05012.
Supramolecular Anchoring of Fe(III) Molecular Redox Catalysts into Graphitic Surfaces Via CH-π and π–π Interactions for CO2 Electroreduction

Luo, Z.-M.; Wang, J.-W.; Nicaso, M.; Gil-Sepulcre, M.; Solano, E.; Nikolaou, V.; Benet, J.; Segado-Centellas, M.; Bo, C.; Llobet, A.

GO TO OPEN ACCESS Angew. Chem. Int. Ed. 2024, DOI: 10.1002/anie.202412188.
Regiodivergent Radical-Relay Alkene Dicarbofunctionalization

Liu, Z.; D’Amico, F.; Martin, R.

J. Am. Chem. Soc. 2024, DOI: 10.1021/jacs.4c10204.
De novo design of proteins housing excitonically coupled chlorophyll special pairs

Ennist, N. M.; Wang, S.; Kennedy, M. A.; Curti, M.; Sutherland, G. A.; Vasilev, C.; Redler, R. L.; Maffeis, V.; Shareef, S.; Sica, A. V.; Hua, A. S.; Deshmukh, A. P.; Moyer, A. P.; Hicks, D. R.; Swartz, A. Z.; Cacho, R. A.; Novy, N.; Bera, A. K.; Kang, A.; Sankaran, B.; Johnson, M. P.; Phadkule, A.; Reppert, M.; Ekiert, D.; Bhabha, G.; Stewart, L.; Caram, J. R.; Stoddard, B. L.; Romero, E.; Hunter, C. N.; Baker, D.

GO TO OPEN ACCESS Nat Chem Biol 2024, 20, 906–915, DOI: 10.1038/s41589-024-01626-0.
Ni-catalysed remote C(sp3)–H functionalization using chain-walking strategies

Romano, C.; Martin, R.

Nat Rev Chem 2024, DOI: 10.1038/s41570-024-00649-4.
Computational study on the mechanism for the synthesis of active pharmaceutical ingredients nitrofurantoin and dantrolene in both solution and mechanochemical conditions

Galeas, D. M.; Tolbatov, I.; Colacino, E.; Maseras, F.

Phys. Chem. Chem. Phys. 2024, 26 (37), 24288-24293, DOI: 10.1039/d4cp01613k.
Periodic Trends and Fluxionality Effects on Transition Metal Catalyzed Sulfoxidation

Garay-Ruiz, D.; Zonta, C.; Lovat, S.; Azcona, F. S.; González-Fabra, J.; Bo, C.; Licini, G.

GO TO OPEN ACCESS ACS Omega 2024, 9 (37), 38798-38808, DOI: 10.1021/acsomega.4c04831.
Nanoconfinement of polyoxometalates in cyclodextrin: computational inspections of the binding affinity and experimental demonstrations of reactivity modulation

Segado-Centellas, M.; Falaise, C.; Leclerc, N.; Priso, G. M.; Haouas, M.; Cadot, E.; Bo, C.

GO TO OPEN ACCESS Chem. Sci. 2024, 15, 15849-15857 , DOI: 10.1039/d4sc01949k.
Acceptor-Induced Cooperative Mixed-Stacking Supramolecular Co-Assembly with Enhanced Emissive Characteristics

Zou, C.; Petroselli, M.; Bacchiocchi, C.; Usman, R.; Wang, Z. R.; Henidi, H. A.; Bin-Jumah, M. N.; Bushnak, I.; Rahman, F. U.; Khan, A.

Cryst. Growth Des. 2024, DOI: 10.1021/acs.cgd.4c01045.

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