Next Monday will be the defense of the doctoral thesis of Martí Gimferrer Andrés, titled “Development and application of new methodologies for chemical bonding analysis”, supervised by Dr. Pedro Salvador from IQCC. Place: Aula Magna – Facultat de Ciències Date: March 27, 2023 Time: 11.30h We wish him good luck and all the best!
Institut de Química Computacional i Catàlisi
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News
Dr. Nikita Chaudhary has recently become a new member of the Institute of Computational Chemistry and Catalysis (IQCC) as a Marie Curie Postdocotral Fellow. Dr. Chaudhary obtained her PhD in Chemistry from IIT Roorkee (India) in 2015. During her PhD, she worked with Prof. M. R. Maurya on catalytic role of immobilized vanadium complexes in
Next Monday will be the defense of the doctoral thesis of Christian Curado Carballada, titled “Elucidating the role of conformational dynamics of Aspergillus niger monoamine oxidase towards enzymatic chiral amines synthesis”, supervised by Prof. Sílvia Osuna and Dr. Ferran Feixas from IQCC. Place: Aula Magna – Facultat de Ciències Date: March 13, 2023 Time: 10.30h We
This month (Feb 5-10th 2023) at the European-Winter School on Physical Organic Chemistry (E-WISPOC23) in Bressanone (Italy), Najoua Choukairi, PhD student under the supervion of Prof. Miquel Costas, presented her work on syn-dihydroxylation and won one of the best flash award awards. Congratulations Najoua!
Last month (Jan. 30-31, 2023) took place the 1st Reunió de Química Teòrica i Computacional (RQTC) 2023 Conference from Societat Catalana de Química (SCQ) in Barcelona, which included a poster session. Janet Sánchez, master student under the supervision of Prof. Sílvia Osuna, presented a poster titled “Computational design of new kinases for suicide cancer gene
Valentina Iannace wins poster prize at First Inorg/OrgMet Conference of Societat Catalana de Química
This month (Feb 2-3th 2023) took place the 1st Reunió de Química Inorgànica i Organometàl·lica (RQIO) 2023 Conference from Societat Catalana de Química (SCQ) in Barcelona, which included a poster session. Valentina Iannace, PhD student under the supervision of Prof. Xavi Ribas, presented a poster titled “Regioselective bis-functionalization of fullerene C70 via supramolecular mask strategy”,
Aromatic polycyclic systems have been extensively utilized as structural subunits for the preparation of various functional molecules. Currently, aromatics-based polycyclic systems are predominantly generated from the extension of two-dimensional (2D) aromatic rings. In contrast, polycyclic compounds based on the extension of three-dimensional (3D) aromatics such as boron clusters are less studied. Here, we report three
Transition-metal-mediated reductive coupling of nitric oxide (NO(g)) to nitrous oxide (N2O(g)) has significance across the fields of industrial chemistry, biochemistry, medicine, and environmental health. Herein, we elucidate a density functional theory (DFT)-supplemented mechanism of NO(g) reductive coupling at a copper-ion center, [(tmpa)CuI(MeCN)]+ (1) {tmpa = tris(2-pyridylmethyl)amine}. At -110 °C in EtOH (<-90 °C in MeOH), exposing 1 to NO(g) leads
During Feburary and March, six of the Master in Advanced Catalysis and Molecular Modelling (MACMoM) students will start a internship in Concentrol, Roberlo, Novartis and P&G company (Belgium) to perform their Master research project (TFM). Internship in a company is an optional module of the MACMoM Master, in which the students can perform a full-time
This coming Saturday (11th of February) is the International day of Women and Girls in Science. The IQCC has currently a rather favourable balance in gender ratio of staff members, both at the Master level (50%), PhD level (38%), postdocs (24%) and permanent researchers staff (29%). Notably, out of the 4 most recent permanent members,