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The Journal of Physical Chemistry. A
|
February 2, 2018
First-Principle Investigations of the Interaction between CO and O<sub>2</sub> with Group 11 Atoms on a Defect-Free MgO(001) Surface
Kai Töpfer, Jean Christophe Tremblay
Physical Chemistry Chemical Physics : PCCP
|
June 28, 2016
How surface reparation prevents catalytic oxidation of carbon monoxide on atomic gold at defective magnesium oxide surfaces
Kai Töpfer, Jean Christophe Tremblay
Physical Chemistry Chemical Physics : PCCP
|
May 20, 2022
Quantitative molecular simulations
Kai Töpfer, Meenu Upadhyay, Markus Meuwly
The Journal of Physical Chemistry Letters
|
December 26, 2023
Molecular Simulation for Atmospheric Reactions: Non-Equilibrium Dynamics, Roaming, and Glycolaldehyde Formation following Photoinduced Decomposition of <i>syn-</i>Acetaldehyde Oxide
Meenu Upadhyay, Kai Töpfer, Markus Meuwly
Physical Chemistry Chemical Physics : PCCP
|
May 27, 2022
Double proton transfer in hydrated formic acid dimer: Interplay of spatial symmetry and solvent-generated force on reactivity
Kai Töpfer, Silvan Käser, Markus Meuwly
Journal of Chemical Theory and Computation
|
September 4, 2024
Kernel-Based Minimal Distributed Charges: A Conformationally Dependent ESP-Model for Molecular Simulations
Eric Boittier, Kai Töpfer, Mike Devereux, et al.
The Journal of Chemical Physics
|
August 2, 2024
SCN as a local probe of protein structural dynamics
Sena Aydin, Seyedeh Maryam Salehi, Kai Töpfer, et al.
The Journal of Chemical Physics
|
November 11, 2024
Energy relaxation of N2O in gaseous, supercritical, and liquid xenon and SF6
Kai Töpfer, Shyamsunder Erramilli, Lawrence D Ziegler, et al.
Digital Discovery
|
February 17, 2023
Neural network potentials for chemistry: concepts, applications and prospects
Silvan Käser, Luis Itza Vazquez-Salazar, Markus Meuwly, et al.
The Journal of Chemical Physics
|
April 15, 2023
Molecular-level understanding of the rovibrational spectra of N<sub>2</sub>O in gaseous, supercritical, and liquid SF<sub>6</sub> and Xe
Kai Töpfer, Debasish Koner, Shyamsunder Erramilli, et al.
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of 2
Search research articles
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Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. A
|
February 2, 2018
First-Principle Investigations of the Interaction between CO and O<sub>2</sub> with Group 11 Atoms on a Defect-Free MgO(001) Surface
Kai Töpfer, Jean Christophe Tremblay
Physical Chemistry Chemical Physics : PCCP
|
June 28, 2016
How surface reparation prevents catalytic oxidation of carbon monoxide on atomic gold at defective magnesium oxide surfaces
Kai Töpfer, Jean Christophe Tremblay
Physical Chemistry Chemical Physics : PCCP
|
May 20, 2022
Quantitative molecular simulations
Kai Töpfer, Meenu Upadhyay, Markus Meuwly
The Journal of Physical Chemistry Letters
|
December 26, 2023
Molecular Simulation for Atmospheric Reactions: Non-Equilibrium Dynamics, Roaming, and Glycolaldehyde Formation following Photoinduced Decomposition of <i>syn-</i>Acetaldehyde Oxide
Meenu Upadhyay, Kai Töpfer, Markus Meuwly
Physical Chemistry Chemical Physics : PCCP
|
May 27, 2022
Double proton transfer in hydrated formic acid dimer: Interplay of spatial symmetry and solvent-generated force on reactivity
Kai Töpfer, Silvan Käser, Markus Meuwly
Journal of Chemical Theory and Computation
|
September 4, 2024
Kernel-Based Minimal Distributed Charges: A Conformationally Dependent ESP-Model for Molecular Simulations
Eric Boittier, Kai Töpfer, Mike Devereux, et al.
The Journal of Chemical Physics
|
August 2, 2024
SCN as a local probe of protein structural dynamics
Sena Aydin, Seyedeh Maryam Salehi, Kai Töpfer, et al.
The Journal of Chemical Physics
|
November 11, 2024
Energy relaxation of N2O in gaseous, supercritical, and liquid xenon and SF6
Kai Töpfer, Shyamsunder Erramilli, Lawrence D Ziegler, et al.
Digital Discovery
|
February 17, 2023
Neural network potentials for chemistry: concepts, applications and prospects
Silvan Käser, Luis Itza Vazquez-Salazar, Markus Meuwly, et al.
The Journal of Chemical Physics
|
April 15, 2023
Molecular-level understanding of the rovibrational spectra of N<sub>2</sub>O in gaseous, supercritical, and liquid SF<sub>6</sub> and Xe
Kai Töpfer, Debasish Koner, Shyamsunder Erramilli, et al.
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of 2