Results: 55
Nicolas Joly, Clara Mauclaire, Sylvain Gaillard, Albert Poater, Jean-Luc Renaud
Dehydrogenative Coupling Reaction for the Synthesis of 5‐ and 6‐Heterocyclic Derivatives Catalyzed by Earth‐Abundant Metal‐Based Complexes
Asian J Org Chem, 2025, [], ASAP-
DOI: 10.1002/ajoc.202400728OpenAccess: –Keywords: Homogeneous catalysis, Joint Exp-Comp, Sustainable Catalysis
Zhen Cao, Laura Falivene, Albert Poater, Bholanath Maity, Ziyung Zhang, Gentoku Takasao, SadeedBin Sayed, Andrea Petta, Giovanni Talarico, Romina Oliva, Luigi Cavallo
COBRA web application to benchmark linear regression models for catalyst optimization with few-entry datasets
Cell Reports Physical Science, 2025, 6, 102348-
DOI: 10.1016/j.xcrp.2024.102348OpenAccess: –Keywords: Chemical bonding, Computational chemistry, Joint Exp-Comp, Machine learning, Predictive Chemistry
Cristina Castanyer, Çetin Çelik, Albert Artigas, Anna Roglans, Anna Pla Quintana, AntonJ Stasyuk, Yoko Yamakoshi, Miquel Solà
Enhancement of photoinduced reactive oxygen species generation in open-cage fullerenes
Chem. Sci., 2025, [], ASAP-
DOI: 10.1039/D4SC05428HOpenAccess: LinkKeywords: Electron and energy transfer, Excited states, Joint Exp-Comp, Reaction mechanisms, Spin states
Ya-Shan Huang, Hong-Lei Xu, Wen-Juan Tian, Zi-Sheng Li, Sílvia Escayola, Miquel Solà, Alvaro Muñoz-Castro, Zhong-Ming Sun
[Co3 @Ge6 Sn18 ]5– : A Giant σ-Aromatic Cluster Analogous to H3 + and Li3 +
J. Am. Chem. Soc., 2025, [], ASAP-
DOI: 10.1021/jacs.4c16401OpenAccess: –Keywords: Aromaticity, Chemical bonding, Joint Exp-Comp, Nanocages
Pengfei Chen, Yafei Li, Jing Ma, Jun Zhu, Jin Xie, Miquel Solà, Congqing Zhu, Qin Zhu
Neutral All-Metal σ-Aromaticity in a Rhombic Cluster
J. Am. Chem. Soc., 2025, [], ASAP-
DOI: 10.1021/jacs.5c03828OpenAccess: –Keywords: Aromaticity, Chemical bonding, Joint Exp-Comp, Organometallics
Manuel Buendía, Anton J. Stasyuk, Salvatore Filippone, Miquel Solà, Nazario Martín
All-carbon supramolecular complexation of a bilayer molecular nanographene with [60] and [70]fullerenes
Org. Chem. Front., 2025, [], ASAP-
DOI: 10.1039/D4QO02071EOpenAccess: –Keywords: Confined space, Joint Exp-Comp, Nanocages, Non-covalent interactions, Supramolecular chemistry
Michael Jirasek, Abhishek Sharma, Jessica R. Bame, S. HessamM. Mehr, Nicola Bell, Stuart M. Marshall, Cole Mathis, Alasdair MacLeod, Geoffrey J. T. Cooper, Marcel Swart, Rosa Mollfulleda, Leroy Cronin
Investigating and Quantifying Molecular Complexity Using Assembly Theory and Spectroscopy
ACS Cent. Sci., 2024, 10, 1054-1064
DOI: 10.1021/acscentsci.4c00120OpenAccess: LinkKeywords: Computational chemistry, Joint Exp-Comp, Predictive Chemistry, Spectroscopy
Keren Iudanov, NoyBracha Nechmad, Albert Poater, N. Gabriel Lemcoff
Selective Cross‐Metathesis Versus Ring‐Closing Metathesis of Terpenes, Taking the Path Less Travelled
Angew Chem Int Ed, 2024, [], ASAP-
DOI: 10.1002/anie.202412430OpenAccess: LinkKeywords: Chemical bonding, Computational chemistry, Joint Exp-Comp, Organometallics, Reaction mechanisms
Miquel Solà
Reflexiones en torno a la gestión de los grupos de investigación
AnQuimRSEQ, 2024, 120, 131-
DOI: 10.62534/rseq.aq.1995OpenAccess: LinkKeywords: Joint Exp-Comp
Mahsa Karimi, Samahe Sadjadi, Hassan Arabi, Naeimeh Bahri-Laleh, Albert Poater
Design and Synthesis of a Novel Catalytic System Based on Pd Supported on Alumina Extrudates for Hydrotreating of PAO Lubricants
Applied Organom Chemis, 2024, [], ASAP-
DOI: 10.1002/aoc.7730OpenAccess: LinkKeywords: Chemical bonding, Computational chemistry, Joint Exp-Comp, Organometallics, Reaction mechanisms