@CompNanoCat

Our Computational Chemistry Research Group works applying Quantum Chemical Methods to analyze the Structure and Reactivity of Chemical Systems.

 Barcelona, España
webs.uab.cat/compnanocat/
Joined December 2016
  • Tweets325
  • Following435
  • Followers348
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CompNanoCat retweeted
Aleix Comas@aleixcv23 Sep 2022
Check out our recent paper published at @PCCP about BCC Cu NPs. "BCC-Cu Nanoparticles: From a Transient to a Stable Allotrope by Tuning Size and Reaction Conditions" pubs.rsc.org/en/content/arti…
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CompNanoCat retweeted
RSEQ@RSEQUIMICA24 Aug 2022
🔊Postdoctoral Position. CatSyNanoMat group Universitat Autònoma de Barcelona 🗓️ Fecha límite/Deadline: 30/09/2022 ➡️bit.ly/3c6TjLE
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CompNanoCat retweeted
LaiaFF@LaiaFraFor28 Jul 2022
Postdoc position to work in a very interesting project #solarfuels 🌱☀️ #chemistry
Seloxcat@seloxcat28 Jul 2022
Great postdoc opportunity to work at the @UABBarcelona in the CatSyNanoMat group together with us in a collaborative EU project. Details 👇 #postdocposition #solarfuels #chemistry
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CompNanoCat retweeted
Seloxcat@seloxcat28 Jul 2022
Great postdoc opportunity to work at the @UABBarcelona in the CatSyNanoMat group together with us in a collaborative EU project. Details 👇 #postdocposition #solarfuels #chemistry
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Piero masterfully illustrating astrochemistry results in a keynote contribution to the 48th National Congress of Physical Chemistry sites.google.com/view/cong-c… @RimolaAlbert @tinacci_lorenzo @NBalucani #astrochemistry #labccmg #compchem #astrochemicalorigins – at Genoa, Liguria
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CompNanoCat retweeted
InsiliChem@insilichem28 Jun 2022
Many congrats to Laura Tiessler @ltiessler, who won one of the best presentation awards of the Computation symposium at @BienalGranada22 🎉🎉🎉🎉
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A new collaboration with the grup of Josefina Pons. Thanks for invinting me to participate in this nice project. pubs.rsc.org/en/content/arti…

A Hg(i) corrugated sheet assembled by auxiliary dioxole groups and Hg⋯π interactions†

The formation of a new double-stranded staircase Hg(i) supramolecular assembly is reported. It is arranged into 2D corrugated sheets supported by Hg(i)⋯Odi

pubs.rsc.org
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It’s finally official! I’m thrilled to share that I’ll join @icn2nano as an ICREA @icreacommunity Research Professor in September! Can’t wait to start a new chapter in Barcelona and do exciting science on novel electrocatalyst nanomaterials @ERC_Research icn2.cat/en/news/4884-icrea-…
Catalan Institute of Nanoscience & Nanotechnology@icn2nano13 Jun 2022
📣The ICN2 proudly welcomes a new Group Leader, Prof. Maria Escudero Escribano, who will join our institute in September 2022 as an ICREA Research Professor. 👩‍🔬🔬She will lead the new NanoElectrocatalysis and Sustainable Chemistry Group and an ERC Grant. icn2.cat/en/news/4884-icrea-…
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Delighted to see our latest computational work on the oxygen evolution reaction with IrO2 nanoparticles already accessible on Journal of Catalysis @Dagonzalezfo @CompBioNanoCat sciencedirect.com/science/ar…
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CompNanoCat retweeted
Jordi Sort@sort_jordi5 Jun 2022
We are hiring! We are looking for motivated PhD students and postdocs to work in the field of magnetoelectric materials for data security. 'REMINDS' Project: Advanced Grant from the European Research Council!
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Definición de precariedad del director de la Agencia Estatal de Investigación @AgEInves. Un desperdicio de talento, ilusión y entrega de tantos investigadores. Aún mucho por aprender de nuestros países vecinos… @_FPalazon @marearojainvest @neurofregides @CienciaConFutur
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Això és en una setmana! 🔥 T’hi has apuntat ja?
Secció Jove - Societat Catalana de Química@scqjove4 May 2022
Vols proposar activitats en l’àmbit de la química i difondre la teva recerca? Apunta’t a la reunió fundacional de la Secció Jove de la Societat Catalana de Química. Més informació aquí: drive.google.com/file/d/1ROm… #SCQJove #RecercaEnCatalà #SócQuímic #DonaCordaAlCatalà #TalentJove
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Happy to see the work of our colleagues including calculations from us already online in Inorg. Chem. @CompBioNanoCat @InorgChem @UABBarcelona pubs.acs.org/doi/10.1021/acs…

Controlling the Formation of Two Concomitant Polymorphs in Hg(II) Coordination Polymers

Abstract. Controlling the formation of the desired product in the appropriate crystalline form is the fundamental breakthrough of crystal engineering. On t

pubs.acs.org
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Conferència plenària de la 12a Trobada de joves investigadors dels Països Catalans per part del Dr. Aleix Comas-Vives (@aleixcv): "Reptes i oportunitats en la modelització dels catalitzadors heterogenis". #Química @univgirona @UABBarcelona @UdGCiencies @FCienciesUAB
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First-Principles Modeling of Protein Surface Interactions. Polyglycine Secondary Structure Adsorption on the #TiO2 (101) Anatase Surface Adopting a Full Periodic Approach pubs.acs.org/doi/10.1021/acs… @RimolaAlbert #current_issue #compchem
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CompNanoCat retweeted
InsiliChem@insilichem19 Nov 2021
Our latest paper on Multiscale modelling of artificial metalloenzymes has been accepted in @Faraday_D 🎉🎉🎉 A long journey that started several years ago with @Mat_TR's TFG. Congrats to all the authors and enjoy the reading: pubs.rsc.org/en/content/arti…
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📢 12a Trobada de Joves Investigadors dels Països Catalans. 📆 24 al 26 de gener de 2022. 📍Facultat de Ciències de la Universitat de Girona (@UdGCiencies). Avui s'obre el període d'inscripció: scq.iec.cat/?p=10015
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CompNanoCat retweeted
Ventura's Lab@PPMC_UAB15 Oct 2021
5 days after the cyberattack to @UABBarcelona and despite the large effort done by @tic_uab we can’t access our institutional E-mails. If you contacted us in this period or plan to do it in the next week, please drop a short message here.
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CompNanoCat retweeted
Aleix Comas@aleixcv29 Sep 2021
Nice essay on Computational Organometallic Chemistry by my PhD advisor: Agustí Lledós chemistry-europe.onlinelibra…
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Our new paper on first row d0 olefin metathesis is now out. @CompBioNanoCat @Orgmet_ACS pubs.acs.org/doi/10.1021/acs…
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