@yisuscience

Associate Professor in Inorganic Chemistry UB & IQTCUB

 Barcelona, España
Joined September 2019
  • Tweets378
  • Following382
  • Followers220
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📢 New paper out! Beyond bond distances: a purely geometrical approach to characterising chemical bonding A different perspective on what geometry can tell us about bonding. pubs.rsc.org/dt/article/55/9… #ChemicalBonding #PhysicalChemistry #ComputationalChemistry

Beyond bond distances: a purely geometrical descriptor correlating with covalency-related bonding...

Quantifying covalency remains a central challenge in understanding chemical bonding. Traditional distance–bond strength correlations often fail in diverse

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New paper on lanthanoid compounds with POM ligands from PhD student Abir Dahou! Check it in @DaltonTrans Also with @yisuscience @QuimicaUB @In2Ub doi.org/10.1039/D6DT00750C

Lanthanide compounds with Anderson POM ligands: a route to multifunctional wide bandgap single...

We report a series of lanthanide complexes with Anderson polyoxometalate (POMs) as ligands, which crystallize into distinct structural families depending o

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After reading many reactions to this year's Shanghai Rankings, I think it is time we stop treating the positions of the Spanish universities as a surprise and start addressing the structural problems behind them. A thread. 🧵 👇
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Jesus Jover retweeted
Jordi Cirera@j_cireraAug 6
Check out our latest collaboration with @pnmartinho and @BijoyDe64777504 on Carbazole-Functionalized Fe(III) #SpinCrossover Complexes Exhibiting Fluorescence Quenching, now out @DaltonTrans @QuimicaUB @IQTCUB doi.org/10.1039/D6DT00705H

Carbazole-functionalized Fe(iii) spin-crossover complexes exhibiting fluorescence quenching

We report the synthesis, structural characterization, magnetic properties, and photophysical behavior studies of two Fe(iii) complexes derived from a carba

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Fabio Juliá@FabioJulia7Jul 15
We are looking for candidates for a PhD position in my group (fjulialab.com/) at @UMU to work on new methods for sustainable organic synthesis based on iron photocatalysis. Deadline: October 1st More info about the position in the doc below 👇 RT are appreciated!
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Jordi Cirera@j_cireraJul 20
Save the data! The 8th @EuChemS Inorganic Chemistry Conference will take place in Barcelona 5th to 9th of September 2027. Keep posted through the webpage: eicc8.com/ @scq_iec @QuimicaUB @icn2nano @iec @univgirona @universitatURV @UABBarcelona
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Jordi Cirera@j_cireraMay 4
Looking forward to teaching at the @IQTCUB @QuimicaUB #compchem modelling courses this July! A great opportunity to explore how theory and simulations connects with chemistry 📅 July 7–13 & 14–17 📍 In-person See you there! Details & registration 👇
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Are you interested in a PhD combining computational inorganic chemistry, ML and AI? 💻⚛️🤖 If so, you can apply to the 2026 PREDOCS-UB within @CompInorgChemUB group by February 13th. Check out the requisites here: ub.edu/beques/3rcicle/PREDOC… or just get in touch!! @QuimicaUB @IQTCUB
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Also, the Beatriu de Pinós call is open, these grants offer 3 years postdoc positions in Catalan research centers. If anybody is interested in joining us, send me a DM! You can find all the info here: tramits.gencat.cat/en/tramit…

Ajuts postdoctorals Beatriu de Pinós (BP 2025)

The purpose of the Beatriu de Pinós programme is to award grants on a competitive basis for the employment and incorporation of postdoctoral researchers into the Catalan science and technology system.

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Lo escriben y firman 400 estudiantes del Máster del Profesorado. "La estafa del Máster del Profesorado"
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New article! Unveiling n → π* interactions: convergence of quantum crystallography and computational insights - now published in Dalton Transactions pubs.rsc.org/en/content/arti…

Unveiling n → π* interactions: convergence of quantum crystallography and computational insights

We report the identification and characterization of a n → π* interaction between halide anions and a cationic purine nucleobase. Through a combined quantu

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How to build an academic writing habit (to write a lot and publish a lot):
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Are you interested in combining computational inorganic chemistry and AI? ⚛️🖥️🧠 If so, apply as a #JdC postdoc in the @CompInorgChemUB group by December 10th. Check out the requisites here: acortar.link/yhYLRt or just get in touch!! @QuimicaUB @IQTCUB
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Jesus Jover retweeted
IQTCUB@IQTCUB25 Sep 2025
OPEN POSITION AT IQTC Contact Prof. Pere Alemany before October 1st. iqtc.ub.edu/vacancies/phd-po… #openposition #compchem @UniBarcelona @SOMM_alliance
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Our new paper has been accepted in @JOC_OL 🥳 Computational Study of a Copper-Catalyzed Synthesis of Fluoroalcohols from Alkylboranes and Ketones Check it out in full open access: pubs.acs.org/doi/10.1021/acs… @FGomezMudarra @IQTCUB @QuimicaUB @CompInorgChemUB

Computational Study of a Copper-Catalyzed Synthesis of Fluoroalcohols from Alkylboranes and Ketones

Abstract. Fluoroalcohols are a class of organic compounds containing one or more fluorine atoms together with an alcohol group in their molecular structure

pubs.acs.org
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A recent paper with our collaborators of @UAHes has been selected as Hot Paper in @DaltonTrans! It will be will be free to access for the next 6 weeks, check it out: pubs.rsc.org/en/content/arti… @IQTCUB @QuimicaUB

Revisiting the structure and properties of mid-valent monopentamethylcyclopentadienylchromium...

The structure and properties of half-sandwich chromium complexes derived from the dinuclear chloride compound [{CrCp*(μ-Cl)}2] (1) (Cp* = η5-C5Me5) are rev

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🚨PhD Opportunity in Computational Catalysis! Join our team at @CICenergiGUNE to advance atomistic modelling & AI for sustainable nitrogen conversion 🌱 See details below. #PhDposition #ComputationalChemistry #Catalysis #DFT #ML4Science @Chemjobber @TCD_Chemistry @TCD_Energy
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A new opportunity to come and work with us @BristolChem: jobs.ac.uk/job/DMU792/lectur… - note it's a fixed-term post.
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Interested in a funded Master’s thesis in sustainable chemistry & catalysis in our 🇨🇭 member labs? 🌱🧪🌍 The @NCCR_Catalysis Young Talents Fellowship is back! 📑 More info bit.ly/2025YoungTalentsFello… ⏰ Apply by 30 April 2025 🙋🏻 For any questions or help ➡️ @mflagadec 🔁 = 🫶🏻
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Jesus Jover retweeted
OBC@OrgBiomolChem14 Feb 2025
Be sure to read research in our latest issue by @yisuscience & co @IQTCUB exploring nickel-catalyzed organochalcogen synthesis via cross-coupling of benzonitrile and alkyl chalcogenols with computational tools Find it in full here🔽 pubs.rsc.org/en/content/arti…

Exploring nickel-catalyzed organochalcogen synthesis via cross-coupling of benzonitrile and alkyl...

The preparation of organochalcogens has increased in recent times due to their promising biological activity properties. This work studies the reaction mec

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