electronicstructure @eegroupub
Electronic Structure group from @UniBarcelona and @IQTCUB ee.ub.edu Barcelona Joined April 2015-
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PRISM: periodic representation with multiscale and similarity graph modelling for enhanced crystal structure property prediction idp.nature.com/authorize?resp… #nature #feedly
Enhancement of molecular conductance through a supramolecular five-molecule assembly sciencedirect.com/science/articl… #science #feedly
Room Temperature Spin‐Dependent Transport in 2D Hofmann‐Type Single‐Layer Network onlinelibrary.wiley.com/doi/10.1002/sm… #chemistry #feedly
An air-stable high-performance single-molecule magnet operating as a luminescent thermometer below its blocking temperature pubs.rsc.org/en/Content/Art… #rsc #feedly
Exploring Hyperfine Coupling in Molecular Qubits pubs.rsc.org/en/Content/Art… #rsc #feedly
[ASAP] Benchmarking Molecular and Periodic Extended Tight Binding Methods for Spin-State Energies in Spin-Crossover Systems dx.doi.org/10.1021/acs.jp… #acs #feedly
Determining the Zero-Field Cooling/ Field Cooling Blocking Temperature from AC-Susceptibility data for Single-Molecule Magnets pubs.rsc.org/en/Content/Art… #rsc #feedly
A Cartesian encoding graph neural network for crystal structure property prediction: application to thermal ellipsoid estimation pubs.rsc.org/en/Content/Art… #rsc #feedly
Single‐Molecule Electrical Conductance in Z‐form DNA:RNA onlinelibrary.wiley.com/doi/10.1002/sm… #chemistry #feedly
Experimental and theoretical studies of the electronic transport of an extended curcuminoid in graphene nano-junctions pubs.rsc.org/en/Content/Art… #rsc #feedly
[ASAP] Benchmarking Periodic Density Functional Theory Calculations for Spin-State Energies in Spin-Crossover Systems dx.doi.org/10.1021/acs.in… #acs #feedly
[ASAP] Thermal Jahn–Teller Distortion Changes and Slow Relaxation of Magnetization in Mn(III) Schiff Base Complexes dx.doi.org/10.1021/acs.in… #acs #feedly
Accurate State Energetics in Spin-Crossover Systems using Pure Density Functional Theory pubs.rsc.org/en/Content/Art… #rsc #feedly
Our PhD student @ASilvestreLlora has presented an oral communication at the congress 13a Trobada de Joves Investigadors. Congratulations !👏🏼👏🏼
Gràcies a @scqjove i @scq_iec per l'oportunitat de participar en la #XIIITrobadaSCQ. Ha estat tot un plaer compartir la meua recerca 🥰🧪 @QuimicaUB @IQTCUB @eegroupub
Increasing the Magnetic Blocking Temperature of Single‐Molecule Magnets onlinelibrary.wiley.com/doi/10.1002/an… #chemistry #feedly
We are pleased to welcome Àlex, the new member of our group who will work on the joint project with UPC called Artificial Intelligence for Magnetic Devices in Quantum and Neuromorphic Computing.
Please come visit the @IQTCUB @QuimicaUB stand at the upcoming #FestaCiènciaUB this weekend and try our #virtualreality tools to explore the molecular world. More info below: ub.edu/laubdivulga/fe…
[ASAP] Fe–Gd Ferromagnetic Cyclic Coordination Cluster [FeIII4GdIII4(teaH)8(N3)8(H2O)] with Magnetic AnisotropyTheory and Experiment dx.doi.org/10.1021/acs.in… #acs #feedly
First day in for our new visiting PhD @FGomezMudarra from the group of @eegroupub @IQTCUB !!🥳🥳🤩Welcome to dublin and very exciting times ahead with some super cool chemistry!!🖥️⚗️🧪 @MGarcia_Melchor @TCD_Chemistry
Molecular memory near room temperature in an iron polyanionic complex cell.com/chem/fulltext/… #chemistry #feedly
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Laura Rodríguez @lrraurell
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387 Followers 521 Following PhD Scholar in Computational Chemistry 🖥️⚗️ Football Fanatic ⚽ Cricket Enthusiast 🏏 Metalhead 🤟🎧🎸
Adriana Silvestre Llo... @ASilvestreLlora
113 Followers 152 Following Predoctoral researcher in Electronic Structure group of @UniBarcelona and @IQTCUB
CIC bioGUNE @CICbioGUNE
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Angel Morales-Garcia @AngelMorales83
431 Followers 1K Following Lecturer in Physical Chemistry at Universitat de Barcelona and at IQTCUB
Sandhya Kapurwan @KapurwanSandhya
324 Followers 603 Following IRC Postdoctoral Researcher @ucddublin
Pritam Rudra @PritamR_CHE
47 Followers 351 Following Research Scholar Chemical Engineering Dept.|| IIT Bombay|| Research interests: DFT, CPMD,ML Potential,AIMD, Computational Catalyst.
Laia Navarro @laianavarro18
287 Followers 186 Following PhD in Theoretical Chemistry and Computational Modelling @UniBarcelona @QuimicaUB and @IQTCUB
ACAragonès @ACAragonesPhD
74 Followers 109 Following Electrical molecular detection & Plasmonic molecular trapping, Material Science & Physical Chemistry Department. @UniBarcelona & @IQTCUB
David Harding @GroupHarding
2K Followers 1K Following RG at Suranaree University of Technology. @CrystEngComm and @ChemistrySelect. @SUT_2020. FRSC. All views my own. https://t.co/ZTqTzzJYtt
Valence - Chemistry P... @ValenceClub
209 Followers 585 Following A public journal club dedicated to discussing latest research in chemistry | Completely student run and open for all | Supported by @iiserkol | DM to join!
Sidra Sarwar @SidraSarwar49
75 Followers 528 Following Postdoctoral researcher at Karlsruhe Institute of Technology | Organic and polymeric electro-optic materials
Ania Wronski @AniaWronski
123 Followers 405 Following Journal Launch Manager @FrontiersIn for #Bioscience, #Sustainability, #Humanities and #SocialSciences
Martin Nielsen @MartinN42661278
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Arup Sarkar @arup_chemistry
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BISWJIT MONDAL @BISWAJIT210293
58 Followers 251 Following Postdoctoral scholar @University of Barcelona, Spain
Eduard Cremades @eduardcremades
2K Followers 3K Following #Docència📓 #Química🧑🔬 #Metal 🤘🏻 #Terror 👻 Faig coses a @EscolaVirolai, @QuimicaUB, @UOCxtended, @LTPeriodica, @metalcatala i @fqmente.
Laboratory of Molecul... @labmoldesign
361 Followers 390 Following Follow us: Laboratory of Molecular Design now on @LabMolDesign-ub.bsky.social!.
Albert Figuerola_LM2N... @afiguerola_ub
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Prof. Nicholas F Chil... @nfchilton
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QuimCoord @QuimCoord
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DaltonTransactions @DaltonTrans
14K Followers 460 Following This account has been archived. Stay connected with us on https://t.co/NVgcXkGQgV, LinkedIn and Bluesky
IUPAC @IUPAC
24K Followers 546 Following This IUPAC account has been archived. Stay connected with us on https://t.co/54pGXMTDFL, LinkedIn, Bluesky, Facebook, and Instagram.
Larissa von Krbek @vkrbek
3K Followers 1K Following #NewPI at Kekulé Institute @UniBonn. Previously Nitschke group and @AgSchalley. Fuel-driven systems, supramolecular chemistry, metallo-cages. Views are my own.
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Albert Gallen @AlbertGallen
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Javier Eusamio @javier_eusamio
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Dr Michele Mattera @MicheleMattera4
196 Followers 680 Following PostDoc Researcher interested in microscopy and surface science and Microfluidics. At the moment @unibarcelona in @QuimicaUB, in @PuigmartiLuis 's ChemInFlow.
Ryan Hadt @RyanGHadt
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so mote it be @tmdeniel
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Rosa Diego Creixenti @RCreixenti
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Ariadna Lázaro @AriadnaLaz
134 Followers 91 Following Lecturer Professor at @GroupSuns in @QuimicaUB. Former post-doc @labdecola in KIT. Playing with platinum complexes and their luminescence 🧪
Diego Mauricio Gil @DiegoMaGil
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Stefan Bromley @stefan_bromley
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Nature Chemistry @NatureChemistry
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ACS Publications @ACSPublications
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GE3C RSEQ-RSEF @GE3C_RSEQF
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American Chemical Soc... @AmerChemSociety
259K Followers 1K Following The American Chemical Society is one of the world’s largest scientific societies and a leading source of authoritative scientific info.
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831 Followers 457 Following ICREA Professor. Head of the ChemInFlow group
Crystal Growth & Desi... @CGD_ACS
3K Followers 603 Following This account is no longer active or monitored. For updates about Crystal Growth & Design, follow @ACSPublications.
Royal Society of Chem... @RoySocChem
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QUANTIC group @QUANTIC_BSC
2K Followers 497 Following Quantum computation group at Barcelona Supercomputing Center @BSC_CNS.














