Search research articles
Contact Us
Filters
Showing results (11-20 of 29) with videos related to
Page
of 3
Sort By:
The Journal of Physical Chemistry. B
|
August 25, 2006
Nitrous oxide decomposition over Fe-ZSM-5 in the presence of nitric oxide: a comprehensive DFT study
Andreas Heyden, Niels Hansen, Alexis T Bell, et al.
The Journal of Physical Chemistry. B
|
July 21, 2006
Comprehensive DFT study of nitrous oxide decomposition over Fe-ZSM-5
Andreas Heyden, Baron Peters, Alexis T Bell, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
Tight-Binding Configuration Interaction (TBCI): A Noniterative Approach to Incorporating Electrostatics into Tight Binding
Mark A Iron, Andreas Heyden, Grażyna Staszewska, et al.
ACS Applied Materials & Interfaces
|
June 14, 2023
Theoretical Investigation of the Electrochemical Oxidation of H<sub>2</sub> and CO Fuels on a Ruddlesden-Popper SrLaFeO<sub>4-δ</sub> Anode
Nicholas A Szaro, Salai Cheettu Ammal, Fanglin Chen, et al.
The Journal of Physical Chemistry Letters
|
November 27, 2023
Benchmarking the Accuracy of Density Functional Theory against the Random Phase Approximation for the Ethane Dehydrogenation Network on Pt(111)
Nicholas A Szaro, Mubarak Bello, Charles H Fricke, et al.
JACS Au
|
October 3, 2022
Liquid-Phase Effects on Adsorption Processes in Heterogeneous Catalysis
Mehdi Zare, Mohammad S Saleheen, Nirala Singh, et al.
Journal of Chemical Information and Modeling
|
January 10, 2024
Invariant Molecular Representations for Heterogeneous Catalysis
Jawad Chowdhury, Charles Fricke, Olajide Bamidele, et al.
Journal of Colloid and Interface Science
|
February 2, 2022
Probing surface-adsorbate interactions through active particle dynamics
Benjamin Greydanus, Mohammad Saleheen, Haichao Wu, et al.
Nature Communications
|
November 7, 2018
Controlling reaction pathways of selective C-O bond cleavage of glycerol
Weiming Wan, Salai C Ammal, Zhexi Lin, et al.
Journal of Chemical Theory and Computation
|
January 22, 2020
A Multiple Filter Based Neural Network Approach to the Extrapolation of Adsorption Energies on Metal Surfaces for Catalysis Applications
Asif J Chowdhury, Wenqiang Yang, Kareem E Abdelfatah, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 29) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. B
|
August 25, 2006
Nitrous oxide decomposition over Fe-ZSM-5 in the presence of nitric oxide: a comprehensive DFT study
Andreas Heyden, Niels Hansen, Alexis T Bell, et al.
The Journal of Physical Chemistry. B
|
July 21, 2006
Comprehensive DFT study of nitrous oxide decomposition over Fe-ZSM-5
Andreas Heyden, Baron Peters, Alexis T Bell, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
Tight-Binding Configuration Interaction (TBCI): A Noniterative Approach to Incorporating Electrostatics into Tight Binding
Mark A Iron, Andreas Heyden, Grażyna Staszewska, et al.
ACS Applied Materials & Interfaces
|
June 14, 2023
Theoretical Investigation of the Electrochemical Oxidation of H<sub>2</sub> and CO Fuels on a Ruddlesden-Popper SrLaFeO<sub>4-δ</sub> Anode
Nicholas A Szaro, Salai Cheettu Ammal, Fanglin Chen, et al.
The Journal of Physical Chemistry Letters
|
November 27, 2023
Benchmarking the Accuracy of Density Functional Theory against the Random Phase Approximation for the Ethane Dehydrogenation Network on Pt(111)
Nicholas A Szaro, Mubarak Bello, Charles H Fricke, et al.
JACS Au
|
October 3, 2022
Liquid-Phase Effects on Adsorption Processes in Heterogeneous Catalysis
Mehdi Zare, Mohammad S Saleheen, Nirala Singh, et al.
Journal of Chemical Information and Modeling
|
January 10, 2024
Invariant Molecular Representations for Heterogeneous Catalysis
Jawad Chowdhury, Charles Fricke, Olajide Bamidele, et al.
Journal of Colloid and Interface Science
|
February 2, 2022
Probing surface-adsorbate interactions through active particle dynamics
Benjamin Greydanus, Mohammad Saleheen, Haichao Wu, et al.
Nature Communications
|
November 7, 2018
Controlling reaction pathways of selective C-O bond cleavage of glycerol
Weiming Wan, Salai C Ammal, Zhexi Lin, et al.
Journal of Chemical Theory and Computation
|
January 22, 2020
A Multiple Filter Based Neural Network Approach to the Extrapolation of Adsorption Energies on Metal Surfaces for Catalysis Applications
Asif J Chowdhury, Wenqiang Yang, Kareem E Abdelfatah, et al.
Page
of 3