Cristina García-Simon was graduated in Chemistry at the University of Girona and she performed the PhD in the Institut de Química Computacional i Catàlisi (IQCC) under the supervision of Prof. Xavi Ribas and Prof. Miquel Costas in the field of synthesis of molecular nanocapsules for supramolecular host-guest chemistry and enzyme-like catalysis. Then, she worked as a postdoctoral investigator
Institut de Química Computacional i Catàlisi
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Category: Alumni
Effective February 1st of this year, Daniel Eduardo Trujillo González, a former member of the IQCC, has been appointed as an Associate professor by the Environmental Engineering Faculty at Santo Tomás University in Villavicencio, Colombia. Under the supervision of Prof. Miquel Solà, Dr. Oscar Jiménez and Dr. Gerardo González, Daniel completed his PhD thesis titled ‘Theoretical
Adrià Lòpez was graduated in Chemistry at the University of Girona and he performed the master in the Institute of Computational Chemistry and Catalysis (IQCC), then he did the PhD thesis between the IQCC and the Concetrol company (in Spain) with a AGAUR industrial doctorate fellowship. Then, he worked as a R&D Technician in Concentrol in Spain. Since you pursued an industrial doctoral program,
Adriàn Romero was graduated in Chemistry at the University of Girona and he performed the PhD in the former Institut de Química Computacional i Catàlisi (IQCC) under the supervision of Prof. Marcel Swart and Prof. Sílvia Osuna in the field of computational studies of enzymatic and biomimetic catalysts. Then, he worked as a postdoctoral investigator in Uppsala University (Sweden).
Gemma Font was graduated in Chemistry at the University of Girona and she performed the master in the Institute of Computational Chemistry and Catalysis (IQCC) and she did the master thesis between the IQCC and the Proter & Gamble (in Belgium) in the field of two type of natural BOLA surfactants. Then, she worked as a associate researcher in
Recently, Dr. Joan Serrano Plana, a former IQCC member, was appointed senior scientific editor by Nature Chemistry (Springer Nature). Joan completed his master’s degree and PhD thesis under the supervision of Dr. Anna Company and Prof. Miquel Costas, studying O2 activation and hydrocarbon oxidation by bioinspired iron and copper complexes. During that period, he was
Last 20th April took place the 30 years IQC(C) celebration. This wonderful moment was celebrated by a symposium and get-together in Girona. Schedule (Aula Magna, Science Faculty) 09.30h Opening by Honorific Director Prof. Ramon Carbó-Dorca and ViceRector Research Dr. Maria Pla de Solà-Morales Session 1: Chair: Lorenzo D’Amore 09.50h-10.15h Jordi Mestres – “From Similarity to
Last month at the 2023 #RSCPoster Twitter Conference, Chiraf Souilah, a former master student of IQCC and now a PhD student under the supervision of Dr. Alicia Casitas at Philipps-Universität Marburg, presented a poster titled “Synthesis of Fe(III) and Fe(IV) cyanide complexes using hypervalent iodine reagents as cyano trasfer one-electron oxidants”, a collaboration project with
Several fully ?-conjugated macrocycles with puckered or cage-type structures were recently found to exhibit aromatic character according to both experiments and computations. We examine their electronic structures and put them in relation to 3D-aromatic molecules (e.g., closo-boranes) and to 2D-aromatic polycyclic aromatic hydrocarbons. Using qualitative theory combined with quantum chemical calculations, we find that the
Cyano lambda3-iodanes react with iron(II) and iron(III) complexes as cyano-transfer one-electron oxidants. This approach enables the straightforward synthesis of iron(III) and iron(IV) cyanide complexes, which have been thoroughly characterized by spectroscopic methods, including X-ray diffraction, EPR, Mössbauer and NMR spectroscopies and computational methods. We disclose a new reactivity mode for electrophilic cyano lambda3-iodanes as group