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Results: 322

Àlex Díaz-Jiménez, Roger Monreal-Corona, Miquel Solà, Albert Poater, Anna Roglans, Anna Pla-Quintana
Synthesis of 1H -Isoindole-Containing Scaffolds Enabled by a Nitrile Trifunctionalization
ACS Catal., 2024, [], 7381-7388
DOI: 10.1021/acscatal.4c00932
Keywords: Cycloaddition, Homogeneous catalysis, Organometallics, Reaction mechanisms, Regioselectivite functionalization

Agustí Lledó, Jordi Solà
The Intermolecular Pauson‐Khand Reaction: Applications, Challenges, and Opportunities
Adv Synth Catal, 2024, 366, 574-592
DOI: 10.1002/adsc.202301236
Keywords: Cycloaddition, Homogeneous catalysis, Ligand design, Organometallics, Reaction mechanisms

Almudena Inchausti, Rosa Mollfulleda, Marcel Swart, Josefina Perles, Santiago Herrero, ValentínG. Baonza, Mercedes Taravillo, Álvaro Lobato
Torsion Effects Beyond the δ Bond and the Role of π Metal‐Ligand Interactions
Advanced Science, 2024, [], ASAP-
DOI: 10.1002/advs.202401293
Keywords: Chemical bonding, Homogeneous catalysis, Spectroscopy

Julian Ludwig, Christian Curado-Carballada, Stephan C. Hammer, Andreas Schneider, Svenja Diether, Nico Kress, Sergi Ruiz-Barragán, Sílvia Osuna, Bernhard Hauer
Controlling Monoterpene Isomerization by Guiding Challenging Carbocation Rearrangement Reactions in Engineered Squalene‐Hopene Cyclases
Angew Chem Int Ed, 2024, [], ASAP-
DOI: 10.1002/anie.202318913
Keywords: Biocatalysis, Enzyme design

Sílvia Escayola, Naeimeh Bahri-Laleh, Albert Poater
%V _Bur index and steric maps: from predictive catalysis to machine learning
Chem. Soc. Rev., 2024, [], ASAP-
DOI: 10.1039/D3CS00725A
Keywords: Chemical bonding, Computational chemistry, Machine learning, Predictive Chemistry, Sustainable Catalysis

Kai H. Schülke, JanaS. Fröse, Alina Klein, Marc Garcia-Borràs, Stephan C. Hammer
Efficient Transferase Engineering for SAM Analog Synthesis from Iodoalkanes
ChemBioChem, 2024, [], ASAP-
DOI: 10.1002/cbic.202400079
Keywords: Biocatalysis, Computational chemistry, Enzyme design, Joint Exp-Comp

Jordi Soler, Sebastian Gergel, StephanC Hammer, Marc Garcia-Borràs
Molecular Basis for Chemoselectivity Control in Oxidations of Internal Aryl‐Alkenes Catalyzed by Laboratory Evolved P450s
ChemBioChem, 2024, [], ASAP-
DOI: 10.1002/cbic.202400066
Keywords: Biocatalysis, Computational chemistry, Enzyme design, Joint Exp-Comp

C. Maurits de Roo, Andy Sardjan, Roy postmus, Marcel Swart, Ronald Hage, Wesley Richard Browne
Reaction of (N4Py)Fe with H2O2 and the relevance of its Fe(IV)=O species during and after H2O2 disproportionation
ChemCatChem, 2024, [], ASAP-
DOI: 10.1002/cctc.202301594
Keywords: Computational chemistry, High-valent metal complexes, Homogeneous catalysis, Reaction mechanisms, Spectroscopy

Nicolas Joly, Alessandro Colella, Monique-Edwige Mendy, MbayeDiagne Mbaye, Sylvain Gaillard, Albert Poater, Jean-Luc Renaud
Blue‐Light Induced Iron‐Catalyzed Synthesis of γ,δ‐Unsaturated Ketones
ChemSusChem, 2024, [], ASAP-
DOI: 10.1002/cssc.202301472
Keywords: Excited states, Organometallics, Reaction mechanisms, Sustainable Catalysis

Tong Wu, Ankita Puri, YiLin Qiu, Daniel Ye, Rajdeep Sarma, Yiwen Wang, Tomasz Kowalewski, MaximeA. Siegler, Marcel Swart, Isaac Garcia-Bosch
Tuning the Thermochemistry and Reactivity of a Series of Cu-Based 4H⁺ /4e^– Electron-Coupled-Proton Buffers
Inorg. Chem., 2024, [], ASAP-
DOI: 10.1021/acs.inorgchem.4c00835
Keywords: Computational chemistry, Homogeneous catalysis, Joint Exp-Comp, Spectroscopy