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IQTC Virtual Meeting 2021

We are glad to announce that the IQTC Meeting will take place on Friday 29th January 2021 in virtual platform BB Collaborate of Universitat de Barcelona, from 9:30 to 13:30 h.


The event allows the IQTC members to share the findings obtained from their research. The aim of the event is to broaden the views towards topics of interest for the community.

IQTC PhD Students and young researchers are encouraged to submit their poster!

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PROGRAM January 29th 2021

09:15 – 9:30Online Registration
09:30 – 9:40Director Welcome and Poster Session presentation
Dr Eliseo Ruiz
09:40 – 10:00“Rational design of Iron-based catalysts for cross-coupling reactions”
Dr Xiaobo Sun
10:00 – 10:15“DFT benchmarking of spin-crossover phenomena in mononuclear Fe(III)-systems”
Sr. Daniel Vidal
10:15 – 10:55Poster session
10:55 – 11:25“Toward more accurate and affordable computational models for CO2 electroreduction”
Dr Federico Calle
11:25 – 11:45 “MacA: a molecular valve within the MacABTolC efflux pump”
Dr Salomé Llabrés
11:45 – 12:25Poster session
12:25 – 12:45“Addressing the complexity of nanostructured materials in catalysis modelling”
Dr Albert Bruix
12:45 – 13:15“Different mechanisms of stabilization of regular π-stacks of radicals in switchable dithiazolyl-based materials”
Dr Mercè Deumal
13:15 – 13:30Poster Awards

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Posters IQTC Virtual Meeting 2021