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Journal of Chemical Theory and Computation
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December 5, 2025
Development and Bayesian Uncertainty Quantification of Coarse-Grained Models of Metals Based on Embedded Atom Method Potentials
Abhishek T Sose, Troy Gustke, Karteek K Bejagam, et al.
Journal of Chemical Theory and Computation
|
June 26, 2024
Evaluation of Sampling Algorithms Used for Bayesian Uncertainty Quantification of Molecular Dynamics Force Fields
Abhishek T Sose, Troy Gustke, Fangxi Wang, et al.
Science Advances
|
August 8, 2017
Catalysis beyond frontier molecular orbitals: Selectivity in partial hydrogenation of multi-unsaturated hydrocarbons on metal catalysts
Wei Liu, Yingda Jiang, Karl-Heinz Dostert, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
June 20, 2015
Interaction of Isophorone with Pd(111): A Combination of Infrared Reflection-Absorption Spectroscopy, Near-Edge X-ray Absorption Fine Structure, and Density Functional Theory Studies
Karl-Heinz Dostert, Casey P O'Brien, Wiebke Riedel, et al.
The Journal of Physical Chemistry Letters
|
August 20, 2015
Toward Low-Temperature Dehydrogenation Catalysis: Isophorone Adsorbed on Pd(111)
Wei Liu, Aditya Savara, Xinguo Ren, et al.
ACS Catalysis
|
October 23, 2025
Structure-Activity Relationships for Ethanol Dehydrogenation to Acetaldehyde by Silica-Supported Zinc Oxide Catalysts
Benjamin M Moskowitz, Jisue Moon, Yuanyuan Li, et al.
Science Advances
|
October 15, 2021
Design of tough adhesive from commodity thermoplastics through dynamic crosslinking
Md Anisur Rahman, Christopher Bowland, Sirui Ge, et al.
Nature Communications
|
June 18, 2020
Harnessing strong metal-support interactions via a reverse route
Peiwen Wu, Shuai Tan, Jisue Moon, et al.
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of 2
Search research articles
Search
Showing results (11-20 of 18) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 18 results.
Journal of Chemical Theory and Computation
|
December 5, 2025
Development and Bayesian Uncertainty Quantification of Coarse-Grained Models of Metals Based on Embedded Atom Method Potentials
Abhishek T Sose, Troy Gustke, Karteek K Bejagam, et al.
Journal of Chemical Theory and Computation
|
June 26, 2024
Evaluation of Sampling Algorithms Used for Bayesian Uncertainty Quantification of Molecular Dynamics Force Fields
Abhishek T Sose, Troy Gustke, Fangxi Wang, et al.
Science Advances
|
August 8, 2017
Catalysis beyond frontier molecular orbitals: Selectivity in partial hydrogenation of multi-unsaturated hydrocarbons on metal catalysts
Wei Liu, Yingda Jiang, Karl-Heinz Dostert, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
June 20, 2015
Interaction of Isophorone with Pd(111): A Combination of Infrared Reflection-Absorption Spectroscopy, Near-Edge X-ray Absorption Fine Structure, and Density Functional Theory Studies
Karl-Heinz Dostert, Casey P O'Brien, Wiebke Riedel, et al.
The Journal of Physical Chemistry Letters
|
August 20, 2015
Toward Low-Temperature Dehydrogenation Catalysis: Isophorone Adsorbed on Pd(111)
Wei Liu, Aditya Savara, Xinguo Ren, et al.
ACS Catalysis
|
October 23, 2025
Structure-Activity Relationships for Ethanol Dehydrogenation to Acetaldehyde by Silica-Supported Zinc Oxide Catalysts
Benjamin M Moskowitz, Jisue Moon, Yuanyuan Li, et al.
Science Advances
|
October 15, 2021
Design of tough adhesive from commodity thermoplastics through dynamic crosslinking
Md Anisur Rahman, Christopher Bowland, Sirui Ge, et al.
Nature Communications
|
June 18, 2020
Harnessing strong metal-support interactions via a reverse route
Peiwen Wu, Shuai Tan, Jisue Moon, et al.
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of 2