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IQCC

@iqccudg.bsky.social

Institut de Química Computacional i Catàlisi (Inst. Comput. Chem. Catal.), research institute at University of Girona focusing on #PredictiveCatalysis and #ConfinedSpace

132 Followers  |  50 Following  |  81 Posts  |  Joined: 18.11.2024  |  1.9405

Latest posts by iqccudg.bsky.social on Bluesky

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Summary of Thursday's #IQCCForumAutumn edition 2025

www.udg.edu/ca/instituts...

28.10.2025 12:13 — 👍 2    🔁 0    💬 0    📌 0
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Cover ACS Catalysis (@pubs.acs.org) on "Million-Fold Activation of C–H Bonds by Fluorinated Nonheme FeIV =O Complexes" by @marcelswart.bsky.social in collaboration with Prof. Larry Que @umnchemistry.bsky.social

@univgirona.bsky.social #TCBioSys #coverIQCC

www.udg.edu/ca/instituts...

23.10.2025 08:58 — 👍 0    🔁 0    💬 0    📌 0
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Summary of Thursday's #IQCCnetworking

www.udg.edu/ca/instituts...

iqcc.udg.edu/2025/10/10/i...

10.10.2025 08:28 — 👍 0    🔁 0    💬 0    📌 0
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Seven IQCC researchers have been included in Stanford University global list of 2% top scientists
@miquelsola.bsky.social Miquel Costas @marcelswart.bsky.social Albert Poater @silviaosuna.bsky.social Lluis Blancafort Jordi Mestres

#IQCCproud @univgirona.bsky.social

www.udg.edu/ca/instituts...

09.10.2025 12:22 — 👍 7    🔁 3    💬 0    📌 1
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Summary of #NitRecerCat25 #Girona at IQCC #IQCCourteach

@univgirona.bsky.social @silviasimonr.bsky.social

iqcc.udg.edu/2025/10/09/e...

09.10.2025 10:50 — 👍 0    🔁 0    💬 0    📌 0
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Welcome @frazac.bsky.social, new MSCA-PF postdoc fellow at IQCC

@univgirona.bsky.social #MSCA #QBIS-CAT

www.udg.edu/ca/instituts...

07.10.2025 09:28 — 👍 4    🔁 1    💬 0    📌 1
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IQCC-@univgirona.bsky.social (Miquel Costas Xavi Ribas and Arnau Call) Leads Green Chemistry Breakthrough in BBVA Foundation’s Fundamentos Program

#IQCCproud @univgirona.bsky.social

www.udg.edu/ca/instituts...

02.10.2025 11:30 — 👍 1    🔁 0    💬 0    📌 0
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Come on 8th October to the #ScienceSlam IQCC to check out the research of the PIs

Place: PB4-Science Faculty @univgirona.bsky.social
Date: October 8th
Time: 12:30h

www.udg.edu/ca/instituts...

30.09.2025 10:10 — 👍 0    🔁 0    💬 0    📌 0
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Welcome Sergio Fernández, new Juan de la Cierva postdoc fellow at IQCC
@ageinves.bsky.social @univgirona.bsky.social #QBIScat_UdG

www.udg.edu/ca/instituts...

26.09.2025 09:28 — 👍 0    🔁 0    💬 0    📌 0
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Cover @chemcomm.rsc.org on "Aromaticity of all-metal clusters" by @miquelsola.bsky.social in collaboration with @amclabs.bsky.social

@univgirona.bsky.social @dimocat-iqcc.bsky.social #coverIQCC

www.udg.edu/ca/instituts...

25.09.2025 07:54 — 👍 0    🔁 1    💬 0    📌 0
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IQCC is participating in and organizing of the European Researchers' Night #NitRecerCat25 (project coordinated by
@silviasimonr.bsky.social) the with the aim to bring science closerto the #Girona general public

We look forward to seeing you!

#IQCCourteach @univgirona.bsky.social

25.09.2025 07:52 — 👍 0    🔁 0    💬 0    📌 0
Instituts > Hannes Meinert, new Postdoctoral Researcher at IQCC

Welcome Hannes Meinert, new Postdoctoral Researcher at IQCC @univgirona.bsky.social

#InterUdG #UdGRecerca #TCBioSys

www.udg.edu/ca/instituts...

23.09.2025 09:37 — 👍 0    🔁 0    💬 0    📌 0
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The Plenary Talk of Miquel Costas @iqccudg.bsky.social @univgirona.bsky.social has started at @eicc2025.bsky.social

09.09.2025 12:05 — 👍 9    🔁 2    💬 0    📌 0
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Congratulations!
Jordi Soler wins RSEQ-GEQC Prize for best computational chemistry paper in 2024 @rseq-quimica.bsky.social

#IQCCproud @univgirona.bsky.social @dimocat-iqcc.bsky.social @marcgarciaborras.bsky.social

www.udg.edu/ca/instituts...

28.08.2025 10:11 — 👍 3    🔁 1    💬 0    📌 1
Miquel Costas is on stage talking about their work on oxidation catalysts

Miquel Costas is on stage talking about their work on oxidation catalysts

#ICBIC plenary talk

Miquel Costas, @iqccudg.bsky.social @univgirona.bsky.social

Abstract
icbic2025.p.asnevents.com.au/days/2025-07...

Biography
www.icbic21.org/miquel-costas

29.07.2025 15:39 — 👍 5    🔁 1    💬 0    📌 0
Preview
Electrostatic Fields Induce Accelerated Proton Coupled Electron Transfer Rates in Chlorophyll Model Compounds Chlorophyll-based pigments are crucial mediators of redox processes in photosynthesis, serving as the primary electron donors in photosystems I and II. Despite their structural similarities, these pigments exhibit a wide range of redox potentials (0.5–1.3 V vs SHE), and little experimental insight into the origins of this variation is available. To address this deficit, we have synthesized two crown ether-appended Mg-porphyrin complexes as chlorophyll model compounds and demonstrated their ability to bind redox-inactive metal cations. Cation binding to the Mg-porphyrin complexes was found to increase their redox potentials in a manner that depends linearly on the total cationic charge felt by the complex, implicating a through-space electrostatic field effect. The corresponding 1-electron oxidized π-cation radical complexes were then prepared and characterized by UV–vis, FT-IR, and EPR spectroscopies and ESI-MS. The π-cation radical species were found to be competent for the PCET oxidation of a phenolic substrate, mimicking the reaction between photo-oxidized chlorophyll and tyrosine in photosystem II. Cation binding to the π-cation radical complexes was found to increase the rates of their PCET and ET reactions in a charge-dependent manner which could be rationalized using Marcus theory. This work provides direct experimental evidence that electrostatic fields can tune the redox potentials of chlorophyll model compounds, leading to an increase in their oxidative reactivity.

Check out our latest contribution in @jacs.acspublications.org, moved forward by Oscar Kelly

doi.org/10.1021/jacs...

With Brendan Twamley and @fenicu.bsky.social

Cc @iqccudg.bsky.social

01.08.2025 15:47 — 👍 11    🔁 4    💬 0    📌 0
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PhD defense Adrià Juvanteny under supervision of Dr. Anna Company

Place: Aula Magna of the Faculty of Science@univgirona.bsky.social

Date: Sep 3rd
Time: 10 am
Jury: Prof. Marine Desage-El Murr, Prof. Connie C. Lu and Dr. Oriol Planas

www.udg.edu/ca/instituts...

27.08.2025 09:43 — 👍 3    🔁 0    💬 0    📌 0
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Congratulations! @silviaescayola.bsky.social awarded best PhD thesis 2024

#IQCCproud @dimocat-iqcc.bsky.social @dipcehu.bsky.social @univgirona.bsky.social @miquelsola.bsky.social

www.udg.edu/ca/instituts...

22.07.2025 08:59 — 👍 2    🔁 1    💬 0    📌 0
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PhD defense Ricard López under supervision of @lledoagus.bsky.social

Place: Aula Magna of the @univgirona.bsky.social
Date: July 31
Time: 11 am

Jury: Gemma Aragay, Xavi Ribas and Agnieszka Szumna

@dimocat-iqcc.bsky.social

www.udg.edu/ca/instituts...

22.07.2025 07:59 — 👍 1    🔁 1    💬 0    📌 0
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PhD defense Daniel Bosch under supervision of Prof. Lluís Blancafort

Place: Aula Magna of the UdGCiencies @univgirona.bsky.social
Date: July 28th 2025
Time: 10:15 am
Jury: B Durbeej, M D’Abramo, M. Deumal

@udgdoctorat.bsky.social

www.udg.edu/ca/instituts...

21.07.2025 07:24 — 👍 1    🔁 0    💬 0    📌 0
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Congratulations! Aqza Elza John wins Best Presentation Award at JODOC 2025
#IQCCproud @univgirona.bsky.social

www.udg.edu/ca/instituts...

16.07.2025 10:50 — 👍 0    🔁 0    💬 0    📌 0
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Congratulations! Xavi Ribas wins Research Excellence Award Serra Húnter
@recercauniscat.bsky.social #SerraHunter
#IQCCproud @univgirona.bsky.social

www.udg.edu/ca/instituts...

16.07.2025 08:22 — 👍 4    🔁 0    💬 0    📌 0
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Congratulations! Filippo Scarchilli wins poster prize at the XL Bienal RSEQ @rseq-quimica.bsky.social

#IQCCproud #BQB2025 @univgirona.bsky.social

www.udg.edu/ca/instituts...

11.07.2025 11:00 — 👍 1    🔁 0    💬 1    📌 0
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Congratulations! Filippo Scarchilli wins poster prize at the ISOS 2025
#IQCCproud @univgirona.bsky.social

www.udg.edu/ca/instituts...

08.07.2025 08:15 — 👍 0    🔁 0    💬 0    📌 0
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Congratulations! Sílvia Osuna (@silviaosuna.bsky.social) recives IX Banc Sabadell Fundation award on Sciences and Engineering

#IQCCproud @univgirona.bsky.social
@bancsabadell.bsky.social @fbsabadell.bsky.social

www.udg.edu/ca/instituts...

02.07.2025 10:42 — 👍 1    🔁 0    💬 0    📌 0
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Congratulations! Hande Abes wins poster prize at the WATOC 2025
#IQCCproud @univgirona.bsky.social @dimocat-iqcc.bsky.social

www.udg.edu/ca/instituts...

01.07.2025 08:27 — 👍 0    🔁 0    💬 0    📌 0
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Research teams of Profs. Guo, Que and Swart have been awarded a 2025 Horizon Prize by the Royal Society of Chemistry @rsc.org #RSCPrizes

#NewPaperIQCC @marcelswart.bsky.social @univgirona.bsky.social ky.social @cmu.edu

www.udg.edu/ca/instituts...

26.06.2025 07:57 — 👍 3    🔁 1    💬 0    📌 0
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Check our latest work about Excision of organic macrocycles from covalent organic frameworks by Carles Fuertes, Prof. Xavi Ribas in collaboration with Prof. Daniel Maspoch
@icn2.bsky.social in @science.org

#NewPaperIQCC @univgirona.bsky.social

www.udg.edu/ca/instituts...

20.06.2025 14:10 — 👍 2    🔁 1    💬 0    📌 0
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**Postdoc Research Position** #available in "AI/ML Approaches to Precision Drug Discovery" @iqccudg.bsky.social @univgirona.bsky.social

Interested candidates please contact: jordi.mestres@udg.edu

#fragmentscreening #generativechemistry #drugresistance #precisionmedicine

05.06.2025 13:38 — 👍 4    🔁 2    💬 0    📌 0
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Congratulations! Eduard Matito receives Alumin UdG Award 2025

#IQCCproud @univgirona.bsky.social

www.udg.edu/ca/instituts...

05.06.2025 10:04 — 👍 2    🔁 0    💬 0    📌 1

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