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David Balcells

Showing results (1-10 of 61) with videos related to

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Nature Computational Science|August 7, 2025
Diving deep into zeolite spaceDavid Balcells
Journal of Chemical Information and Modeling|October 24, 2025
tmQMg* Data Set: Excited State Properties of 74k Transition Metal ComplexesHannes Kneiding, David Balcells
Chemical Communications (Cambridge, England)|November 28, 2013
Does the metal protect the ancillary ligands? C-H strengthening and deactivation in amines and phosphines upon metal-bindingAinara Nova, David Balcells
Chemical Science|September 19, 2024
Augmenting genetic algorithms with machine learning for inverse molecular designHannes Kneiding, David Balcells
Journal of Chemical Information and Modeling|November 9, 2020
tmQM Dataset-Quantum Geometries and Properties of 86k Transition Metal ComplexesDavid Balcells, Bastian Bjerkem Skjelstad
The Journal of Organic Chemistry|May 24, 2003
Density functional study on the mechanism of the vanadium-catalyzed oxidation of sulfides by hydrogen peroxideDavid Balcells, Feliu Maseras, Agustí Lledós
Chemical Reviews|January 14, 2010
C-H bond activation in transition metal species from a computational perspectiveDavid Balcells, Eric Clot, Odile Eisenstein
Nature Computational Science|March 30, 2024
Directional multiobjective optimization of metal complexes at the billion-system scaleHannes Kneiding, Ainara Nova, David Balcells
Organic Letters|June 18, 2004
Base-catalyzed inversion of chiral sulfur centers. A computational studyDavid Balcells, Feliu Maseras, Noureddine Khiar
Journal of the American Chemical Society|March 10, 2005
Computational rationalization of the dependence of the enantioselectivity on the nature of the catalyst in the vanadium-catalyzed oxidation of sulfides by hydrogen peroxideDavid Balcells, Feliu Maseras, Gregori Ujaque
Pageof 7

Showing results (1-10 of 61) with videos related to

Sort By:
Pageof 7
Nature Computational Science|August 7, 2025
Diving deep into zeolite spaceDavid Balcells
Journal of Chemical Information and Modeling|October 24, 2025
tmQMg* Data Set: Excited State Properties of 74k Transition Metal ComplexesHannes Kneiding, David Balcells
Chemical Communications (Cambridge, England)|November 28, 2013
Does the metal protect the ancillary ligands? C-H strengthening and deactivation in amines and phosphines upon metal-bindingAinara Nova, David Balcells
Chemical Science|September 19, 2024
Augmenting genetic algorithms with machine learning for inverse molecular designHannes Kneiding, David Balcells
Journal of Chemical Information and Modeling|November 9, 2020
tmQM Dataset-Quantum Geometries and Properties of 86k Transition Metal ComplexesDavid Balcells, Bastian Bjerkem Skjelstad
The Journal of Organic Chemistry|May 24, 2003
Density functional study on the mechanism of the vanadium-catalyzed oxidation of sulfides by hydrogen peroxideDavid Balcells, Feliu Maseras, Agustí Lledós
Chemical Reviews|January 14, 2010
C-H bond activation in transition metal species from a computational perspectiveDavid Balcells, Eric Clot, Odile Eisenstein
Nature Computational Science|March 30, 2024
Directional multiobjective optimization of metal complexes at the billion-system scaleHannes Kneiding, Ainara Nova, David Balcells
Organic Letters|June 18, 2004
Base-catalyzed inversion of chiral sulfur centers. A computational studyDavid Balcells, Feliu Maseras, Noureddine Khiar
Journal of the American Chemical Society|March 10, 2005
Computational rationalization of the dependence of the enantioselectivity on the nature of the catalyst in the vanadium-catalyzed oxidation of sulfides by hydrogen peroxideDavid Balcells, Feliu Maseras, Gregori Ujaque
Pageof 7