In search of green or sustainable chemistry there are different objectives to achieve, and already achieve successfully one already represents a step forward to improve the world that surrounds us. Here, in this collaborative work between the experimental team of the University of Normandy (France) led by Prof. Jean Luc Renaud, and from Girona, Dr. […]
On 31st January 2020, Dr. Albert Artigas defended his PhD Thesis entitled: “Cyclization reactions for the functionalization of fullerenes: Experimental and theoretical studies” supervised by Prof. Anna Roglans, Prof. Miquel Solà and Dr Agustí Lledó from the DiMoCat group at IQCC. The members of the evaluation committee were Prof. Roser Pleixats from UAB acting as […]
We have recently incorporated two new PhD students in our group with two cotutelle agreements. First, Daniel Eduardo Trujillo that will perform a theoretical study of the electronic structure and reaction mechanisms of reactions of multiple-bound boron compounds that can activate C-C and C-H bonds. Daniel will be supervised by J. Oscar C. Jimenez-Halla and […]
ChemistryWorld has recently highlighted two works of our group: New rule predicts stabilising aromaticity in open-shell metal clusters. The jellium model assumes a uniform distribution of positive charge corresponding to the cluster atomic nuclei and their innermost electrons in which the interacting valence electrons move. The energy levels of valence electrons for such a model […]
The burning of fossil fuels is causing a global climatic emergency. In order to solve this crisis, is very important to improve the efficiency of the production of renewable energies by transforming CO2 into carbon-based fuels. In this report, the member of the DIMOCAT Josep M. Luis in collaboration with the Julio Lloret group, determined […]
Kamila Pruszkowska is a PhD student supervised by Prof. Michal Cyranski in the University of Warsaw . She has been working in our group for the last six weeks working in the study of the 1,2-bis(4-methylbenzoylvinylamino)ethane and Ni (II) 1,3-bis(4-methylbenzoylvinylamino)propane Ni(II) complexes coordinated to pyridine, 4-dimethylaminopyridine, 4-metoxypyridine, N-methyloimidazole, and thiazole ligands. She has been financed […]
Starting 4th September, we have a new visitor to our research group. Her name is Dandan Chen and she is a PhD student working in the group of Prof. Jun Zhu in the University of Xiamen (China). She will work with Dr. Miquel Solà on inorganic and organometallic species having aromaticity in their triplet states […]
Dr. Anna Pla Quintana is visiting Prof. Jared T. Shaw laboratories at UCDavis (California) (https://shaw.faculty.ucdavis.edu/) during a sabbatical term (September-December 2019) funded by a “Estancias de profesores e investigadores sénior en centros extranjeros” grant from the Ministerio de Ciencia, Innovación y Universidades. She will be involved in a project aimed to the synthesis of anticancer […]
The work carried by DIMOCAT research group of the Institut de Química Computacional i Catàlisi (IQCC) and Universitat de Girona (UdG) has been recognized recently with the inclusion of three researchers of DIMOCAT, Prof. Dr. Miquel Solà, Prof. Dr. Alexander Voityuk and Dr. Albert Poater, in the classification by Prof. Dr. John P. A. Ioannidis and […]
Computer-aided design of chemical catalysts and enzymes Making chemical reactions faster or more selective can be achieved by catalysts, which can be biomolecular enzymes or transition-metal molecules. Engineering these catalysts to provide specific functionality on demand has been a long-term dream by many chemists. In a recent contribution by a team of researchers from Girona, […]