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David Balcells

20PUBLICATIONS

38CO-AUTHORS

Theory and design of materialsHeliophysics and space weatherArtificial life and complex adaptive systemsMain group metal chemistryTransition metal chemistry

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Publications (20)

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|Oct 24, 2025

tmQMg* Data Set: Excited State Properties of 74k Transition Metal Complexes.

Hannes Kneiding, David Balcells

|Aug 07, 2025

Diving deep into zeolite space.

David Balcells

|Jun 12, 2025

AI Approaches to Homogeneous Catalysis with Transition Metal Complexes.

Lucía Morán-González, Arron L Burnage, Ainara Nova

|Feb 10, 2025

Metal-Dependent Mechanism of the Electrocatalytic Reduction of CO<sub>2</sub> by Bipyridine Complexes Bearing Pendant Amines: A DFT Study.

Mahika Luthra, Abril C Castro, David Balcells

|Nov 25, 2024

Copper(II)-Oxyl Formation in a Biomimetic Complex Activated by Hydrogen Peroxide: The Key Role of Trans-Bis(Hydroxo) Species.

Ning Cao, Abril C Castro, David Balcells

|Nov 24, 2024

AABBA Graph Kernel: Atom-Atom, Bond-Bond, and Bond-Atom Autocorrelations for Machine Learning.

Lucía Morán-González, Jørn Eirik Betten, Hannes Kneiding

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Frequent Collaborators

4 joint publications

Ainara Nova

4 joint publications

T Don Tilley

3 joint publications

Hannes Kneiding

3 joint publications

Jaruwan Amtawong

2 joint publications

Agustí Lledós

2 joint publications

Rex C Handford

2 joint publications

Bastian Bjerkem Skjelstad

2 joint publications

Gary W Brudvig

2 joint publications

Andy I Nguyen

1 joint publications

Kim Daasbjerg

Frequent Collaborators

4 joint publications

Ainara Nova

4 joint publications

T Don Tilley

3 joint publications

Hannes Kneiding

3 joint publications

Jaruwan Amtawong

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