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
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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.
electronicstructure retweeted
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
electronicstructure retweeted
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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