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The Journal of Chemical Physics
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February 3, 2017
Perspective: On the active site model in computational catalyst screening
Karsten Reuter, Craig P Plaisance, Harald Oberhofer, et al.
Faraday Discussions
|
April 26, 2016
Quantum chemistry of the oxygen evolution reaction on cobalt(ii,iii) oxide - implications for designing the optimal catalyst
Craig P Plaisance, Karsten Reuter, Rutger A van Santen
The Journal of Chemical Physics
|
June 4, 2017
Interpretation of x-ray absorption spectroscopy in the presence of surface hybridization
Katharina Diller, Reinhard J Maurer, Moritz Müller, et al.
Chemical Reviews
|
December 20, 2021
Implicit Solvation Methods for Catalysis at Electrified Interfaces
Stefan Ringe, Nicolas G Hörmann, Harald Oberhofer, et al.
Journal of the American Chemical Society
|
June 18, 2025
Electron Spillover into Water Layers: A Quantum Leap in Understanding Capacitance Behavior
Lang Li, Thorben Eggert, Karsten Reuter, et al.
The Journal of Chemical Physics
|
November 4, 2017
Local-metrics error-based Shepard interpolation as surrogate for highly non-linear material models in high dimensions
Juan M Lorenzi, Thomas Stecher, Karsten Reuter, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
October 27, 2025
Out of the Crystalline Comfort Zone: Sampling the Initial Oxide Formation At Cu(111)
Felix Riccius, Nicolas Bergmann, Hendrik H Heenen, et al.
Physical Review Letters
|
August 8, 2015
Electronic Friction-Based Vibrational Lifetimes of Molecular Adsorbates: Beyond the Independent-Atom Approximation
Simon P Rittmeyer, Jörg Meyer, J Iñaki Juaristi, et al.
Journal of Chemical Theory and Computation
|
November 7, 2023
Controlled Electrochemical Barrier Calculations without Potential Control
Simeon D Beinlich, Georg Kastlunger, Karsten Reuter, et al.
The Journal of Chemical Physics
|
June 15, 2023
Interpreting ultrafast electron transfer on surfaces with a converged first-principles Newns-Anderson chemisorption function
Simiam Ghan, Elias Diesen, Christian Kunkel, et al.
Page
of 18
Search research articles
Search
Showing results (71-80 of 179) with videos related to
Sort By:
Page
of 18
The Journal of Chemical Physics
|
February 3, 2017
Perspective: On the active site model in computational catalyst screening
Karsten Reuter, Craig P Plaisance, Harald Oberhofer, et al.
Faraday Discussions
|
April 26, 2016
Quantum chemistry of the oxygen evolution reaction on cobalt(ii,iii) oxide - implications for designing the optimal catalyst
Craig P Plaisance, Karsten Reuter, Rutger A van Santen
The Journal of Chemical Physics
|
June 4, 2017
Interpretation of x-ray absorption spectroscopy in the presence of surface hybridization
Katharina Diller, Reinhard J Maurer, Moritz Müller, et al.
Chemical Reviews
|
December 20, 2021
Implicit Solvation Methods for Catalysis at Electrified Interfaces
Stefan Ringe, Nicolas G Hörmann, Harald Oberhofer, et al.
Journal of the American Chemical Society
|
June 18, 2025
Electron Spillover into Water Layers: A Quantum Leap in Understanding Capacitance Behavior
Lang Li, Thorben Eggert, Karsten Reuter, et al.
The Journal of Chemical Physics
|
November 4, 2017
Local-metrics error-based Shepard interpolation as surrogate for highly non-linear material models in high dimensions
Juan M Lorenzi, Thomas Stecher, Karsten Reuter, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
October 27, 2025
Out of the Crystalline Comfort Zone: Sampling the Initial Oxide Formation At Cu(111)
Felix Riccius, Nicolas Bergmann, Hendrik H Heenen, et al.
Physical Review Letters
|
August 8, 2015
Electronic Friction-Based Vibrational Lifetimes of Molecular Adsorbates: Beyond the Independent-Atom Approximation
Simon P Rittmeyer, Jörg Meyer, J Iñaki Juaristi, et al.
Journal of Chemical Theory and Computation
|
November 7, 2023
Controlled Electrochemical Barrier Calculations without Potential Control
Simeon D Beinlich, Georg Kastlunger, Karsten Reuter, et al.
The Journal of Chemical Physics
|
June 15, 2023
Interpreting ultrafast electron transfer on surfaces with a converged first-principles Newns-Anderson chemisorption function
Simiam Ghan, Elias Diesen, Christian Kunkel, et al.
Page
of 18