News

International Women’s Day at IQCC – Virtual Women’s IQCC Forum 2023

8th of March is International Women’s Day. 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, 2 are men and 2 are women, reinforcing one

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Sergio Fernández wins Josep Castells award of RSEQ-Cat

Sergio Fernández won the Josep Castells awards from the Real Sociedad Española de Química, Catalan section (RSEQ-Cat) for the best PhD in Chemistry in 2022. He did his PhD in the DIMOCAT group of the Institute of Computational Chemistry and Catalysis (IQCC) under the supervision of Dr. Josep Maria Luis and at ICIQ-Universitat Rovira i

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IQCC opened its doors to 91 high-school students from INS Sagulla Blanes, INS de Celrà and Les Alzines

A few times a year, the IQCC opens its doors and gives the opportunity to high-school students to know our work through exciting lectures and computational and experimental workshops. This provides the secondary school pupils the possibility to get a feel for the research and have real-time chemistry in their hands. Last month, it was

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PhD defense Martí Gimferrer

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!

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Nikita Chaudhary, new Marie Curie Postdoctoral Fellow at IQCC

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

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PhD defense Christian Curado

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

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Najoua Choukairi wins best flash talk award at European-Winter School on Physical Organic Chemistry

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!

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Janet Sánchez wins poster prize at First CompChem Conference of Societat Catalana de Química

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

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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”,

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Facile Construction of New Hybrid Conjugation via Boron Cage Extension

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

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