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Journal of Chemical Theory and Computation|August 11, 2025

Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular ReactionsRohit Goswami, Maxim Masterov, Satish Kamath, et al.

The Journal of Physical Chemistry Letters|May 20, 2024

Single-Atom Substituents in Copper Surfaces May Adsorb Multiple CO MoleculesMagnus A H Christiansen, Alejandro Peña-Torres, Elvar Ö Jónsson, et al.

Physical Chemistry Chemical Physics : PCCP|July 12, 2018

Dynamics of N2 sticking on W(100): the decisive role of van der Waals interactionsAlejandro Peña-Torres, H Fabio Busnengo, J Iñaki Juaristi, et al.

The Journal of Physical Chemistry Letters|April 18, 2024

Evidence of Sharp Transitions between Octahedral and Capped Trigonal Prism States of the Solvation Shell of the Aqueous Fe3+ IonAmrita Goswami, Alejandro Peña-Torres, Elvar Ö Jónsson, et al.

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Showing results (1-10 of 4) with videos related to

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Journal of Chemical Theory and Computation|August 11, 2025

Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular ReactionsRohit Goswami, Maxim Masterov, Satish Kamath, et al.

The Journal of Physical Chemistry Letters|May 20, 2024

Single-Atom Substituents in Copper Surfaces May Adsorb Multiple CO MoleculesMagnus A H Christiansen, Alejandro Peña-Torres, Elvar Ö Jónsson, et al.

Physical Chemistry Chemical Physics : PCCP|July 12, 2018

Dynamics of N2 sticking on W(100): the decisive role of van der Waals interactionsAlejandro Peña-Torres, H Fabio Busnengo, J Iñaki Juaristi, et al.

The Journal of Physical Chemistry Letters|April 18, 2024

Evidence of Sharp Transitions between Octahedral and Capped Trigonal Prism States of the Solvation Shell of the Aqueous Fe3+ IonAmrita Goswami, Alejandro Peña-Torres, Elvar Ö Jónsson, et al.

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