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electronicstructure

@eegroupub

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Electronic Structure group from @UniBarcelona and @IQTCUB

Barcelona
Joined April 2015
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@eegroupub
electronicstructure
1 month
An air-stable high-performance single-molecule magnet operating as a luminescent thermometer below its blocking temperature #rsc #feedly.
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@eegroupub
electronicstructure
2 months
Exploring Hyperfine Coupling in Molecular Qubits #rsc #feedly.
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@eegroupub
electronicstructure
5 months
[ASAP] Benchmarking Molecular and Periodic Extended Tight Binding Methods for Spin-State Energies in Spin-Crossover Systems #acs #feedly.
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@eegroupub
electronicstructure
5 months
Determining the Zero-Field Cooling/ Field Cooling Blocking Temperature from AC-Susceptibility data for Single-Molecule Magnets #rsc #feedly.
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@eegroupub
electronicstructure
5 months
A Cartesian encoding graph neural network for crystal structure property prediction: application to thermal ellipsoid estimation #rsc #feedly.
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@eegroupub
electronicstructure
7 months
Single‐Molecule Electrical Conductance in Z‐form DNA:RNA #chemistry #feedly.
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@eegroupub
electronicstructure
10 months
Experimental and theoretical studies of the electronic transport of an extended curcuminoid in graphene nano-junctions #rsc #feedly.
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@eegroupub
electronicstructure
1 year
[ASAP] Benchmarking Periodic Density Functional Theory Calculations for Spin-State Energies in Spin-Crossover Systems #acs #feedly.
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@eegroupub
electronicstructure
1 year
[ASAP] Thermal Jahn–Teller Distortion Changes and Slow Relaxation of Magnetization in Mn(III) Schiff Base Complexes #acs #feedly.
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@eegroupub
electronicstructure
1 year
Accurate State Energetics in Spin-Crossover Systems using Pure Density Functional Theory #rsc #feedly.
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@eegroupub
electronicstructure
1 year
Our PhD student @ASilvestreLlora has presented an oral communication at the congress 13a Trobada de Joves Investigadors. Congratulations !👏🏼👏🏼.
@ASilvestreLlora
Adriana Silvestre Llora
1 year
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
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@eegroupub
electronicstructure
2 years
Increasing the Magnetic Blocking Temperature of Single‐Molecule Magnets #chemistry #feedly.
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@eegroupub
electronicstructure
2 years
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.
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@eegroupub
electronicstructure
2 years
RT @j_cirera: Please come visit the @IQTCUB @QuimicaUB stand at the upcoming #FestaCiènciaUB this weekend and try our #virtualreality tools….
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@eegroupub
electronicstructure
2 years
[ASAP] Fe–Gd Ferromagnetic Cyclic Coordination Cluster [FeIII4GdIII4(teaH)8(N3)8(H2O)] with Magnetic AnisotropyTheory and Experiment #acs #feedly.
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@eegroupub
electronicstructure
2 years
RT @CCEM_Group: First day in for our new visiting PhD @FGomezMudarra from the group of @eegroupub @IQTCUB !!🥳🥳🤩Welcome to dublin and very e….
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@eegroupub
electronicstructure
3 years
Molecular memory near room temperature in an iron polyanionic complex #chemistry #feedly.
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@eegroupub
electronicstructure
3 years
RT @eliseoruizsabin: UB-UPC Project for Electronic Structure and Artificial Intelligence for Magnetic Devices in Quantum and Neuromorphic….
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@eegroupub
electronicstructure
3 years
[ASAP] Redox-Programmable Spin-Crossover Behaviors in a Cationic Framework #uncategorized #feedly.
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@eegroupub
electronicstructure
4 years
[ASAP] Coordination of LiH Molecules to Mo≣Mo Bonds: Experimental and Computational Studies on Mo2LiH2, Mo2Li2H4, and Mo6Li9H18 Clusters #uncategorized #feedly.
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