Publications

More filters

Results: 1576

Anna Pla-Quintana, Anna Roglans
The Choice of Rhodium Catalysts in [2+2+2] Cycloaddition Reaction: A Personal Account
Molecules, 2022, 27, 1332-
DOI: 10.3390/molecules27041332
Keywords: Catalysis, Cycloaddition

O. A. Stasyuk, A. J. Stasyuk, M. Solà, A. A. Voityuk
Nitrogen-doped molecular bowls as electron donors in photoinduced electron transfer reactions
Nanoscale Adv., 2022, [], ASAP-
DOI: 10.1039/D2NA00150K
Keywords: Electron and energy transfer, Excited states, Fullerenes, Photovoltaic materials, Supramolecular chemistry

Ernest Ubasart, Irene Mustieles Marin, JuanManuel Asensio, Gabriel Mencia, ÁngelaM. López-Vinasco, Cristina García-Simón, Iker del Rosal, Romuald Poteau, Bruno Chaudret, Xavi Ribas
Supramolecular nanocapsules as two-fold stabilizers of outer-cavity sub-nanometric Ru NPs and inner-cavity ultra-small Ru clusters
Nanoscale Horiz., 2022, [], ASAP-
DOI: 10.1039/D1NH00677K
Keywords: Catalysis, Confined space, Nanocages, Supramolecular chemistry

Miquel Solà
Aromaticity rules
Nat. Chem., 2022, 14, 585-590
DOI: 10.1038/s41557-022-00961-w
Keywords: Aromaticity, Chemical bonding, Electron delocalization

Anna Pla-Quintana, Anna Roglans
Cyclotrimerization takes orders from rhodium
Nat. Synth, 2022, [], ASAP-
DOI: 10.1038/s44160-022-00059-8
Keywords: Catalysis, Cycloaddition, Density Functional Theory, Reaction mechanisms

Martí Gimferrer, Nicolas Joly, Sílvia Escayola, Eduard Viñas, Sylvain Gaillard, Miquel Solà, Jean-Luc Renaud, Pedro Salvador, Albert Poater
Knölker Iron Catalysts for Hydrogenation Revisited: A Nonspectator Solvent and Fine-Tuning
Organometallics, 2022, 41, 1204-1215
DOI: 10.1021/acs.organomet.2c00099
Keywords: Aromaticity, Catalysis, Organometallics, Predictive Chemistry, Reaction mechanisms

Marco Bortoli, Jonatan Campeggio, Laura Orian, Mirco Zerbetto, Antonino Polimeno
Parameter free evaluation of S_N 2 reaction rates for halide substitution in halomethane
Phys. Chem. Chem. Phys., 2022, 24, 7474-7480
DOI: 10.1039/d1cp05220a
Keywords: Chemical bonding, Computational chemistry, Density Functional Theory, Predictive Chemistry, Reaction mechanisms

Jinyan Rui, Qun Zhao, AnthonyJ. Huls, Jordi Soler, JaredC. Paris, Zhenhong Chen, Viktor Reshetnikov, Yunfang Yang, Yisong Guo, Marc Garcia-Borràs, Xiongyi Huang
Directed evolution of nonheme iron enzymes to access abiological radical-relay C(sp³ )−H azidation
Science, 2022, 376, 869-874
DOI: 10.1126/science.abj2830
Keywords: Computational chemistry, Enzyme design, Metalloproteins, Predictive Chemistry, Reaction mechanisms

Arnau Call, Mihaela Cibian, Kosei Yamauchi, Ken Sakai
Visible-light-driven reduction of CO₂ to CO in fully aqueous media using a water-soluble cobalt porphyrin
Sustainable Energy Fuels, 2022, 6, 2160-2164
DOI: 10.1039/D2SE00291D
Keywords: Catalysis, Photocatalysis, Photochemistry, Reaction mechanisms, Spectroscopy

Ivan Djordjevic, Gautama Wicaksono, Ivan Šolić, Juhi Singh, TanviSushil Kaku, Sierin Lim, ElwinWeiJian Ang, Lluís Blancafort, Terry W.J. Steele
Rapid Activation of Diazirine Biomaterials with the Blue Light Photocatalyst
ACS Appl. Mater. Interfaces, 2021, 13, 36839-36848
DOI: 10.1021/acsami.1c08581
Keywords: Computational chemistry, Excited states, Photochemistry