Search research articles
Contact Us
Filters
Showing results (1-10 of 28) with videos related to
Page
of 3
Sort By:
The Journal of Chemical Physics
|
March 16, 2020
Vibrational properties of CO<sub>2</sub> adsorbed on the Fe<sub>3</sub>O<sub>4</sub> (111) surface: Insights gained from DFT
Xiaoke Li, Joachim Paier
Physical Chemistry Chemical Physics : PCCP
|
May 5, 2017
Reduction and oxidation of Au adatoms on the CeO<sub>2</sub>(111) surface - DFT+U versus hybrid functionals
Christopher Penschke, Joachim Paier
Frontiers in Chemistry
|
December 24, 2021
Editorial: Interfacial Structures and Their Properties
Joachim Paier, Peter Broqvist, Xiaohang Lin
Journal of the American Chemical Society
|
October 3, 2014
Support effect in oxide catalysis: methanol oxidation on vanadia/ceria
Thomas Kropp, Joachim Paier, Joachim Sauer
The Journal of Chemical Physics
|
November 7, 2021
Adsorption of CH<sub>4</sub> on the Pt(111) surface: Random phase approximation compared to density functional theory
Christopher Sheldon, Joachim Paier, Joachim Sauer
The Journal of Chemical Physics
|
July 21, 2007
Why does the B3LYP hybrid functional fail for metals?
Joachim Paier, Martijn Marsman, Georg Kresse
Chemical Reviews
|
May 9, 2013
Oxygen defects and surface chemistry of ceria: quantum chemical studies compared to experiment
Joachim Paier, Christopher Penschke, Joachim Sauer
Frontiers in Chemistry
|
January 11, 2021
Machine Learning in Computational Surface Science and Catalysis: Case Studies on Water and Metal-Oxide Interfaces
Xiaoke Li, Wolfgang Paier, Joachim Paier
The Journal of Chemical Physics
|
July 13, 2005
The Perdew-Burke-Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set
Joachim Paier, Robin Hirschl, Martijn Marsman, et al.
Faraday Discussions
|
September 11, 2013
Stability and migration barriers of small vanadium oxide clusters on the CeO2(111) surface studied by density functional theory
Joachim Paier, Thomas Kropp, Christopher Penschke, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 28) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
March 16, 2020
Vibrational properties of CO<sub>2</sub> adsorbed on the Fe<sub>3</sub>O<sub>4</sub> (111) surface: Insights gained from DFT
Xiaoke Li, Joachim Paier
Physical Chemistry Chemical Physics : PCCP
|
May 5, 2017
Reduction and oxidation of Au adatoms on the CeO<sub>2</sub>(111) surface - DFT+U versus hybrid functionals
Christopher Penschke, Joachim Paier
Frontiers in Chemistry
|
December 24, 2021
Editorial: Interfacial Structures and Their Properties
Joachim Paier, Peter Broqvist, Xiaohang Lin
Journal of the American Chemical Society
|
October 3, 2014
Support effect in oxide catalysis: methanol oxidation on vanadia/ceria
Thomas Kropp, Joachim Paier, Joachim Sauer
The Journal of Chemical Physics
|
November 7, 2021
Adsorption of CH<sub>4</sub> on the Pt(111) surface: Random phase approximation compared to density functional theory
Christopher Sheldon, Joachim Paier, Joachim Sauer
The Journal of Chemical Physics
|
July 21, 2007
Why does the B3LYP hybrid functional fail for metals?
Joachim Paier, Martijn Marsman, Georg Kresse
Chemical Reviews
|
May 9, 2013
Oxygen defects and surface chemistry of ceria: quantum chemical studies compared to experiment
Joachim Paier, Christopher Penschke, Joachim Sauer
Frontiers in Chemistry
|
January 11, 2021
Machine Learning in Computational Surface Science and Catalysis: Case Studies on Water and Metal-Oxide Interfaces
Xiaoke Li, Wolfgang Paier, Joachim Paier
The Journal of Chemical Physics
|
July 13, 2005
The Perdew-Burke-Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set
Joachim Paier, Robin Hirschl, Martijn Marsman, et al.
Faraday Discussions
|
September 11, 2013
Stability and migration barriers of small vanadium oxide clusters on the CeO2(111) surface studied by density functional theory
Joachim Paier, Thomas Kropp, Christopher Penschke, et al.
Page
of 3