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Results: 120

Michele Tomasini, Lucia Caporaso, Jonathan Trouvé, Jordi Poater, Rafael Gramage-Doria, Albert Poater
Unravelling Enzymatic Features in a Supramolecular Iridium Catalyst by Computational Calculations
Chem-Eur. J., 2022, 28, e202201970
DOI: 10.1002/chem.202201970
Keywords: Catalysis, Organometallics, Sustainable Catalysis

Francis Bru, Mathieu Lesieur, Albert Poater, Alexandra Slawin, Luigi Cavallo, Catherine Cazin
A Versatile Palladium Synthon: [Pd(NHC)(PhC≡CPh)] (NHC = N‐Heterocyclic Carbene)
Chemistry A European J, 2022, 28, e202201917
DOI: 10.1002/chem.202201917
Keywords: Catalysis, Computational chemistry, Density Functional Theory, Organometallics, Reaction mechanisms

Aliona G. Baradzenka, Sergei F. Vyboishchikov, Melanie Pilkington, Anton Dmitrienko, Georgii I. Nikonov
The Insertion of E^II and E^IV Chlorides (E=Si, Ge) into the Si−Si Bond of Disilylene
Chemistry A European J, 2022, 28, e202202799
DOI: 10.1002/chem.202202799
Keywords: Computational chemistry, Organometallics, Reaction mechanisms

Kamila Pruszkowska, Olga A. Stasyuk, Anna Zep, Adam Krówczyński, Rafal R. Sicinski, Miquel Solà, Michał K. Cyrański
Effect of Diamine Bridge on Reactivity of Tetradentate ONNO Nickel(II) Complexes
ChemPhysChem, 2022, 23, e202100741
DOI: 10.1002/cphc.202100741
Keywords: Catalysis, Chemical bonding, Organometallics, Reaction mechanisms, Excited states

Sergio Posada-Pérez, Silvia Escayola, Jordi Poater, Miquel Solà, Albert Poater
Ni(i )–TPA stabilization by hydrogen bond formation on the second coordination sphere: a DFT characterization
Dalton Trans., 2022, 51, 12585-12595
DOI: 10.1039/d2dt01355j
Keywords: Chemical bonding, Computational chemistry, Density Functional Theory, High-valent metal complexes, Organometallics

Mohammadreza Mehdizadeh, Samahe Sadjadi, Albert Poater, AmirMohammad Mansouri, Naeimeh Bahri-Laleh
Molecular modelling aided catalyst design for PAO oils hydrofinishing
J. Mol. Liq., 2022, 352, 118675
DOI: 10.1016/j.molliq.2022.118675
Keywords: Catalysis, Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms

Magdalena Dolna, Michał Nowacki, Oksana Danylyuk, Artur Brotons-Rufes, Albert Poater, Michał Michalak
NHC–BIAN–Cu(I)-Catalyzed Friedländer-Type Annulation of 2-Amino-3-(per)fluoroacetylpyridines with Alkynes on Water
J. Org. Chem., 2022, 87, 6115-6136
DOI: 10.1021/acs.joc.2c00380
Keywords: Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis

Arash Shams, Mohammadreza Mehdizadeh, HamidReza Teimoury, Mehrsa Emami, SeyedAmin Mirmohammadi, Samahe Sadjadi, Eduard Bardají, Albert Poater, Naeimeh Bahri-Laleh
Effect of the pore architecture of Ziegler-Natta catalyst on its behavior in propylene/1-hexene copolymerization
Journal of Industrial and Engineering Chemistry, 2022, 116, 359-370
DOI: 10.1016/j.jiec.2022.09.026
Keywords: Catalysis, Organometallics, Sustainable Catalysis

Saleh Yousefi, Naeimeh Bahri-Laleh, Mehdi Nekoomanesh, Mehrsa Emami, Samahe Sadjadi, Seyed Amin Mirmohammadi, Michele Tomasini, Eduard Bardají, Albert Poater
An efficient initiator system containing AlCl3 and supported ionic-liquid for the synthesis of conventional grade polyisobutylene in mild conditions
Journal of Molecular Liquids, 2022, [], 120381-
DOI: 10.1016/j.molliq.2022.120381
Keywords: Catalysis, Computational chemistry, Organometallics, Predictive Chemistry, Sustainable Catalysis

Marie-Samira Abdallah, Nicolas Joly, Sylvain Gaillard, Albert Poater, Jean-Luc Renaud
Blue-Light-Induced Iron-Catalyzed α-Alkylation of Ketones
Org. Lett., 2022, 24, 5584-5589
DOI: 10.1021/acs.orglett.2c02233
Keywords: Catalysis, Computational chemistry, Light-driven synthesis, Organometallics, Sustainable Catalysis