Carles Bo

35PUBLICATIONS
64CO-AUTHORS
Main group metal chemistryComputational chemistrySolid state chemistryChemical thermodynamics and energeticsTransition metal chemistry
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Publications (35)

|Oct 22, 2026
POMs-GibbsNet: A Deep Neural Network for the Prediction of Thermodynamic Parameters of Polyoxometalates.

|Jul 27, 2026
SURFXsim: Free-Energy Simulations of Spin-Forbidden Events with a Spin-Gap Collective Variable.

|Mar 06, 2026
Building block approach to technetium-substituted polyoxotungstates.

Jenna Bustos, Lev N Zakharov, Jordi Buils

|Jun 17, 2025
Uncovering Polyoxometalate Speciation in Hydrothermal Systems by Combining Computational Simulation with X-ray Total Scattering.

Laura S Junkers, Diego Garay-Ruiz, Jordi Buils

|Jun 13, 2025
Hydrogen evolution reaction evidenced for Mo2O2S2-thiosemicarbazone coordination complexes.

Jordi Buils, Sergiu Calancea, Yasmine Bouaouni

|May 14, 2025
Capping the Electronic Lone Pair of the As(III) Central Atom in the Keggin-Type Anion: From Experimental-Theoretical Interplay to Evidence.

Fa Ibrahima Bamba, Clément Falaise, Nathalie Leclerc

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Frequent Collaborators

9 joint publications

Diego Garay-Ruiz

8 joint publications

Mireia Segado-Centellas

7 joint publications

Enric Petrus

5 joint publications

May Nyman