Publications

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Results: 1998

Àlex Díaz-Jiménez, Roger Monreal-Corona, Arijit Saha, Andrea Álvarez-Núñez, Anna Company, Teodor Parella, Pedro J. Pérez, Ana Caballero, Anna Roglans, Albert Poater, Anna Pla-Quintana
Characterization of a Silver Vinylcarbene Intermediate in Carbene–Alkyne Metathesis and Its Concerted C(sp² )–H Bond Insertion
J. Am. Chem. Soc., 2026, [], ASAP-
DOI: 10.1021/jacs.5c19806
OpenAccess: Link
Keywords: Cycloaddition, Joint Exp-Comp, Reaction mechanisms

Jason B. Hedges, Jorge A. Marchand, Carla Calvó-Tusell, Zi-Wang Wei, Douglas C. Millar, Marc Garcia-Borràs, Michelle C. Y. Chang, Katherine S. Ryan
Terminal alkyne formation by a pyridoxal phosphate-dependent enzyme
Nat Chem Biol, 2026, 22, 77-86
DOI: 10.1038/s41589-025-01954-9
OpenAccess: –
Keywords: Biocatalysis, Computational chemistry, Molecular Dynamics interactions

Elias A. Romero-Cavagnaro, Albert Artigas, Anna Pla-Quintana, Anna Roglans
Rh-Catalyzed Cycloaddition Cascade of Allenynes and Maleimides: A Powerful Strategy for Constructing Complex Pentacyclic Structures with a Bicyclo[2.2.2]octene Core
Org. Lett., 2026, 28, 141-146
DOI: 10.1021/acs.orglett.5c04524
OpenAccess: Link
Keywords: Cycloaddition, Joint Exp-Comp, Reaction mechanisms

Miquel Solà
In-plane aromatic metallo-annulenes: Bridging annulene and co-ordination chemistry
Science China Chem., 2026, 69, 7-8
DOI: 10.1007/s11426-025-2910-4
OpenAccess: –
Keywords: Aromaticity, Chemical bonding, Joint Exp-Comp, Organometallics

R. Barzaga, B. Kerkeni, D.A. García-Hernández, X. Ribas, T. Pelachs, M. Manteiga, A. Manchado, M.A. Gómez-Muñoz, T. Huertas-Roldán, G. Ouerfelli
Peculiarities in the infrared emission of polycyclic aromatic hydrocarbon-C₆₀ adducts
A&A, 2025, 704, A300-
DOI: 10.1051/0004-6361/202554031
OpenAccess: Link
Keywords: Computational chemistry, Cycloaddition, Regioselectivite functionalization

Mostafa Ahmadi, Yasothaa Thavayogarajah, Josep Duran, Albert Poater, Sebastian Seiffert
Reconfigurable Transient Polymer Networks Based on Heteroleptic Metal–Ligand Complexes
ACS Appl. Polym. Mater., 2025, 7, 16427-16433
DOI: 10.1021/acsapm.5c03436
OpenAccess: Link
Keywords: Computational chemistry, Joint Exp-Comp, Ligand design, Non-covalent interactions, Sustainable Catalysis

Judith Münch, Jordi Soler, Ofir Gildor-Cristal, Sarel J. Fleishman, Marc Garcia-Borràs, Martin J. Weissenborn
Computationally Designed Peroxygenases That Exhibit Diverse and Selective Terpene Oxyfunctionalization
ACS Catal., 2025, [], 12741-12755
DOI: 10.1021/acscatal.5c02412
OpenAccess: Link
Keywords: Biocatalysis, Computational chemistry, Enzyme design

Stuart C.D. Kennington, Mou Mandal, Roger Monreal-Corona, Arijit Saha, Albert Poater, Anna Roglans, Anna Pla-Quintana
Head-to-Tail Selective [2 + 2 + 2] Cycloadditions of Bisallenes Enabled by Ligand-Free Nickel(0)
ACS Catal., 2025, 15, 15043-15049
DOI: 10.1021/acscatal.5c04046
OpenAccess: Link
Keywords: Cycloaddition, Joint Exp-Comp, Predictive Chemistry, Reaction mechanisms

Bittu Chandra, Chupeng Li, Mursaleem Ansari, Jin Xiong, Alex Lovstedt, Yisong Guo, Marcel Swart, Lawrence Que
Million-Fold Activation of C–H Bonds by Fluorinated Nonheme Fe^IV ═O Complexes via Second Sphere Equatorial Substitution and Catalytic Epoxidation to Boot
ACS Catal., 2025, [], 17361-17372
DOI: 10.1021/acscatal.5c04331
OpenAccess: Link
Keywords: Joint Exp-Comp, Oxidation, Reaction mechanisms, Spectroscopy, Spin states

Arnau Call, Andrea Palone, JordanP. Liles, Natalie P. Romer, Jacquelyne A. Read, JosepM. Luis, Matthew S. Sigman, Massimo Bietti, Miquel Costas
Understanding Catalytic Enantioselective C–H Bond Oxidation at Nonactivated Methylenes Through Predictive Statistical Modeling Analysis
ACS Catal., 2025, 15, 2110-2123
DOI: 10.1021/acscatal.4c05659
OpenAccess: Link
Keywords: Homogeneous catalysis, Oxidation, Predictive Chemistry, Reaction mechanisms, Regioselectivite functionalization