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Ruben Laplaza

Showing results (1-10 of 22) with videos related to

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The Journal of Physical Chemistry Letters|July 11, 2024
Overcoming the Pitfalls of Computing Reaction Selectivity from Ensembles of Transition StatesRuben Laplaza, Matthew D Wodrich, Clemence Corminboeuf
Physical Chemistry Chemical Physics : PCCP|October 24, 2022
Helical <i>versus</i> linear Jahn-Teller distortions in allene and spiropentadiene radical cationsMarc H Garner, Ruben Laplaza, Clemence Corminboeuf
The Journal of Chemical Physics|April 23, 2022
Assessing the persistence of chalcogen bonds in solution with neural network potentialsVeronika Jurásková, Frederic Célerse, Ruben Laplaza, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 18, 2026
The Future of Foundation Machine Learning Potentials and DFT in Homogeneous Catalysis: Competition or Synergy?Maxime Ferrer, Julen Munarriz, Thijs Stuyver, et al.
Chemical Science|February 16, 2026
Inverse design of frustrated Lewis pairs for direct catalytic CO<sub>2</sub> hydrogenation: refining and expanding design rulesShubhajit Das, Ruben Laplaza, Thanapat Worakul, et al.
Digital Discovery|August 9, 2024
Automated prediction of ground state spin for transition metal complexesYuri Cho, Ruben Laplaza, Sergi Vela, et al.
Angewandte Chemie (International Ed. in English)|April 21, 2022
Mapping Active Site Geometry to Activity in Immobilized Frustrated Lewis Pair CatalystsShubhajit Das, Ruben Laplaza, J Terence Blaskovits, et al.
Journal of the American Chemical Society|May 30, 2024
Engineering Frustrated Lewis Pair Active Sites in Porous Organic Scaffolds for Catalytic CO<sub>2</sub> HydrogenationShubhajit Das, Ruben Laplaza, J Terence Blaskovits, et al.
Advanced Materials (Deerfield Beach, Fla.)|October 10, 2023
Data-Driven Discovery of Organic Electronic Materials Enabled by Hybrid Top-Down/Bottom-Up DesignJ Terence Blaskovits, Ruben Laplaza, Sergi Vela, et al.
Angewandte Chemie (International Ed. in English)|September 25, 2024
Inverse Design of Singlet-Fission Materials with Uncertainty-Controlled Genetic OptimizationLuca Schaufelberger, J Terence Blaskovits, Ruben Laplaza, et al.
Pageof 3

Showing results (1-10 of 22) with videos related to

Sort By:
Pageof 3
The Journal of Physical Chemistry Letters|July 11, 2024
Overcoming the Pitfalls of Computing Reaction Selectivity from Ensembles of Transition StatesRuben Laplaza, Matthew D Wodrich, Clemence Corminboeuf
Physical Chemistry Chemical Physics : PCCP|October 24, 2022
Helical <i>versus</i> linear Jahn-Teller distortions in allene and spiropentadiene radical cationsMarc H Garner, Ruben Laplaza, Clemence Corminboeuf
The Journal of Chemical Physics|April 23, 2022
Assessing the persistence of chalcogen bonds in solution with neural network potentialsVeronika Jurásková, Frederic Célerse, Ruben Laplaza, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 18, 2026
The Future of Foundation Machine Learning Potentials and DFT in Homogeneous Catalysis: Competition or Synergy?Maxime Ferrer, Julen Munarriz, Thijs Stuyver, et al.
Chemical Science|February 16, 2026
Inverse design of frustrated Lewis pairs for direct catalytic CO<sub>2</sub> hydrogenation: refining and expanding design rulesShubhajit Das, Ruben Laplaza, Thanapat Worakul, et al.
Digital Discovery|August 9, 2024
Automated prediction of ground state spin for transition metal complexesYuri Cho, Ruben Laplaza, Sergi Vela, et al.
Angewandte Chemie (International Ed. in English)|April 21, 2022
Mapping Active Site Geometry to Activity in Immobilized Frustrated Lewis Pair CatalystsShubhajit Das, Ruben Laplaza, J Terence Blaskovits, et al.
Journal of the American Chemical Society|May 30, 2024
Engineering Frustrated Lewis Pair Active Sites in Porous Organic Scaffolds for Catalytic CO<sub>2</sub> HydrogenationShubhajit Das, Ruben Laplaza, J Terence Blaskovits, et al.
Advanced Materials (Deerfield Beach, Fla.)|October 10, 2023
Data-Driven Discovery of Organic Electronic Materials Enabled by Hybrid Top-Down/Bottom-Up DesignJ Terence Blaskovits, Ruben Laplaza, Sergi Vela, et al.
Angewandte Chemie (International Ed. in English)|September 25, 2024
Inverse Design of Singlet-Fission Materials with Uncertainty-Controlled Genetic OptimizationLuca Schaufelberger, J Terence Blaskovits, Ruben Laplaza, et al.
Pageof 3