electronicstructure

Electronic Structure group from @UniBarcelona and @IQTCUB

[electronicstructure @eegroupub]

PRISM: periodic representation with multiscale and similarity graph modelling for enhanced crystal structure property prediction https://t.co/k6GmOQ0XjL #nature #feedly

[electronicstructure @eegroupub]

Enhancement of molecular conductance through a supramolecular five-molecule assembly https://t.co/KNZphRp4BN #science #feedly

[electronicstructure @eegroupub]

Room Temperature Spin‐Dependent Transport in 2D Hofmann‐Type Single‐Layer Network https://t.co/lZiy7DgsC8 #chemistry #feedly

[electronicstructure @eegroupub]

An air-stable high-performance single-molecule magnet operating as a luminescent thermometer below its blocking temperature https://t.co/Obg7a5Gn8z #rsc #feedly

[electronicstructure @eegroupub]

Exploring Hyperfine Coupling in Molecular Qubits https://t.co/5ajEhPPXbX #rsc #feedly

[electronicstructure @eegroupub]

[ASAP] Benchmarking Molecular and Periodic Extended Tight Binding Methods for Spin-State Energies in Spin-Crossover Systems https://t.co/IH9iPKc4LJ #acs #feedly

[electronicstructure @eegroupub]

Determining the Zero-Field Cooling/ Field Cooling Blocking Temperature from AC-Susceptibility data for Single-Molecule Magnets https://t.co/qFotAimCmV #rsc #feedly

[electronicstructure @eegroupub]

A Cartesian encoding graph neural network for crystal structure property prediction: application to thermal ellipsoid estimation https://t.co/KJKFpdOQKP #rsc #feedly

[electronicstructure @eegroupub]

Single‐Molecule Electrical Conductance in Z‐form DNA:RNA https://t.co/PZR9gMLV0A #chemistry #feedly

[electronicstructure @eegroupub]

Experimental and theoretical studies of the electronic transport of an extended curcuminoid in graphene nano-junctions https://t.co/JkQYNygp7t #rsc #feedly

[electronicstructure @eegroupub]

[ASAP] Benchmarking Periodic Density Functional Theory Calculations for Spin-State Energies in Spin-Crossover Systems https://t.co/C6RYx3RbpY #acs #feedly

[electronicstructure @eegroupub]

[ASAP] Thermal Jahn–Teller Distortion Changes and Slow Relaxation of Magnetization in Mn(III) Schiff Base Complexes https://t.co/HcpI1kSEMx #acs #feedly

[electronicstructure @eegroupub]

Accurate State Energetics in Spin-Crossover Systems using Pure Density Functional Theory https://t.co/21gaxrgOYt #rsc #feedly

[electronicstructure @eegroupub]

Our PhD student @ASilvestreLlora has presented an oral communication at the congress 13a Trobada de Joves Investigadors. Congratulations !👏🏼👏🏼

[Adriana Silvestre Llora @ASilvestreLlora]

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

[electronicstructure @eegroupub]

Increasing the Magnetic Blocking Temperature of Single‐Molecule Magnets https://t.co/BFxE4xEXuE #chemistry #feedly

[electronicstructure @eegroupub]

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.

[Jordi Cirera @j_cirera]

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:
https://t.co/01qHiEhe8z

[electronicstructure @eegroupub]

[ASAP] Fe–Gd Ferromagnetic Cyclic Coordination Cluster [FeIII4GdIII4(teaH)8(N3)8(H2O)] with Magnetic AnisotropyTheory and Experiment https://t.co/4HTUDWUuJP #acs #feedly

[García-Melchor Lab @CCEM_Group]

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

[electronicstructure @eegroupub]

Molecular memory near room temperature in an iron polyanionic complex https://t.co/KVSFa2eNfN #chemistry #feedly