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Results: 158

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

Michał Michalak, Paweł Czerwiński, Katarzyna Śniady-Maciążek, Szymon Musioł, Oksana Danylyuk, Michał Wierzbicki, Michele Tomasini, Albert Poater
Chiral NHC Ligands for Enantioselective Gold(I) Catalysis Under Aerobic Conditions: the Importance of Conformational Flexibility and Steric Hindrance of NHC Ligand on Reactivity
Chemistry A European J, 2024, [], ASAP-
DOI: 10.1002/chem.202303241
Keywords: Chemical bonding, Computational chemistry, Joint Exp-Comp, Organometallics, Reaction mechanisms

Roger Monreal-Corona, Anton J. Stasyuk, Miquel Solà, Anna Pla-Quintana, Albert Poater
Unveiling the reaction mechanisms of the synthesis and the excited state intramolecular proton transfer of 2‐(2′‐hydroxyphenyl)imidazo[1,2‐a ]pyridine
ChemPhysChem, 2024, [], ASAP-
DOI: 10.1002/cphc.202400069
Keywords: Aromaticity, Excited states, Reaction mechanisms

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

Hima P, Michele Tomasini, Vageesh M, Albert Poater, Raju Dey
Access to Secondary Amines through Hydrogen Autotransfer Reaction Mediated by KO^t Bu
Eur J Org Chem, 2024, [], ASAP-
DOI: 10.1002/ejoc.202301213
Keywords: Computational chemistry, Joint Exp-Comp, Reaction mechanisms

Shengwen Xu, Hongjian Zhang, Jingkai Xu, Weiqun Suo, Chang-Sheng Lu, Deshuang Tu, Xingwei Guo, Jordi Poater, Miquel Solà, Hong Yan
Photoinduced Selective B–H Activation ofnido -Carboranes
J. Am. Chem. Soc., 2024, [], ASAP-
DOI: 10.1021/jacs.4c00550
Keywords: Aromaticity, Electron and energy transfer, Excited states, Joint Exp-Comp, Reaction mechanisms

David A. Vargas, Xinkun Ren, Arkajyoti Sengupta, Ledong Zhu, Satyajit Roy, Marc Garcia-Borràs, K. N. Houk, Rudi Fasan
Biocatalytic strategy for the construction of sp3-rich polycyclic compounds from directed evolution and computational modelling
Nat. Chem., 2024, [], ASAP-
DOI: 10.1038/s41557-023-01435-3
Keywords: Biocatalysis, Computational chemistry, Cycloaddition, Enzyme design, Reaction mechanisms

Qun Zhao, Zhenhong Chen, Jordi Soler, Xiahe Chen, Jinyan Rui, Nathan Tianlin Ji, Qinglan E. Yu, Yunfang Yang, Marc Garcia-Borràs, Xiongyi Huang
Engineering non-haem iron enzymes for enantioselective C(sp3)–F bond formation via radical fluorine transfer
Nat. Synth, 2024, [], ASAP-
DOI: 10.1038/s44160-024-00507-7
Keywords: Biocatalysis, Computational chemistry, Enzyme design, Joint Exp-Comp, Reaction mechanisms

Yolanda Rusconi, Massimo Christian D’Alterio, Andrea Grillo, Albert Poater, Claudio De Rosa, Giovanni Talarico
The metal role on the activity and stereoselectivity of ring opening polymerization of racemic lactide promoted by Salen catalysts
Polymer, 2024, 292, 126639
DOI: 10.1016/j.polymer.2023.126639
Keywords: Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms, Regioselectivite functionalization

Nazanin Moeini, Hamidreza Teimoury, Mehrdad Salimi, Naeimeh Bahri-Laleh, Mohammad Joshaghani, Josep Duran, Albert Poater, Sergio Posada-Pérez
Influence of the reaction conditions on the Ziegler-Natta catalyzed ethylene polymerization: Kinetics and properties of the resulting polymers
Polymer, 2024, 293, 126640-
DOI: 10.1016/j.polymer.2023.126640
Keywords: Chemical bonding, Computational chemistry, Joint Exp-Comp, Reaction mechanisms, Regioselectivite functionalization