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, […]
On the opening ceremony of the 62nd Annual Meeting of the Polish Chemical Society, organized on 2–6 September 2019, in Warsaw, the DiMoCat member Miquel Solà has been awarded the Honorary Member of the Polish Chemical Society “for his outstanding scientific achievements and services for the Society“. The distinction has been delivered to Prof. Solà by […]
This week three visitors of our group have been awarded with an HPC-Europa3 Program grant. In particular, DiMoCat will be the host of the following three visitors: Massimo Christian D’Alterio from the University of Naples Federico II, Naples (Italy) Gerard Pareras Niell from the University College Cork, Cork (Ireland) Kamila Pruszkowska from the University of Warsaw, Warsaw (Poland) […]
This week we have known that Alex Díaz has got the prestigious FPU fellowship of the Spanish Ministerio de Educación and Cristina Castanyer has got the FPI fellowship that the Spanish Ministerio de Ciencia awarded to the project CTQ2017-85341-P lead by Anna Pla and Miquel Solà. Alex Díaz is already a research in training supervised […]
Officially, the DiMoCat was constituted on the 3rd of July 2009 with the resolution of the consolidated research groups 2009 of the Generalitat de Catalunya that gave us the number 2009 SGR 637. To celebrate this event, on the 14th June of 2019, our group has visited Sant Miquel d’Hormoier, a small Romanic church built […]
Jordi Poater from the Universitat de Barcelona (ex-DiMoCat member) together with the DiMoCat member Miquel Solà have derived a new rule for the open-shell jellium aromaticity. Some years ago, the same two authors demonstrated that spherical compounds having a same-spin half-filled last energy level with the rest of the levels being full filled are aromatic. […]
Photoinduced electron transfer (PET) is a general nature occurring process which is related with the photosynthetic process. Scientists have always been interested in mimicking this process from artificial molecules in the search for controlling and tuning this process for practical purposes. The appropriate molecules and materials have been an important task in science. The aforementioned […]