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Journal of the American Chemical Society
|
November 28, 2018
QM-Mechanism-Based Hierarchical High-Throughput in Silico Screening Catalyst Design for Ammonia Synthesis
Qi An, Yidi Shen, Alessandro Fortunelli, et al.
Journal of Computational Chemistry
|
September 28, 2015
Does enhanced oxygen activation always facilitate CO oxidation on gold clusters?
Krishnakanta Mondal, Arup Banerjee, Alessandro Fortunelli, et al.
Journal of the American Chemical Society
|
April 10, 2020
Si-Doped Fe Catalyst for Ammonia Synthesis at Dramatically Decreased Pressures and Temperatures
Qi An, Molly Mcdonald, Alessandro Fortunelli, et al.
Accounts of Chemical Research
|
April 7, 2022
Reaction Mechanisms, Kinetics, and Improved Catalysts for Ammonia Synthesis from Hierarchical High Throughput Catalyst Design
Jon Fuller, Qi An, Alessandro Fortunelli, et al.
The Journal of Chemical Physics
|
March 24, 2018
Perspective: Size selected clusters for catalysis and electrochemistry
Avik Halder, Larry A Curtiss, Alessandro Fortunelli, et al.
Nanoscale
|
February 17, 2015
Optimizing the oxygen evolution reaction for electrochemical water oxidation by tuning solvent properties
Alessandro Fortunelli, William A Goddard, Luca Sementa, et al.
Journal of Chemical Theory and Computation
|
August 30, 2024
Machine-Learning-Accelerated DFT Conformal Sampling of Catalytic Processes
Thantip Roongcharoen, Giorgio Conter, Luca Sementa, et al.
ACS Nano
|
February 12, 2009
Interface-stabilized phases of metal-on-oxide nanodots
Riccardo Ferrando, Giulia Rossi, Florin Nita, et al.
Journal of Chemical Theory and Computation
|
August 15, 2025
Extrapolation Techniques in Database Construction for Machine-Learning Potentials: Achieving Subchemical Accuracy in Sampling Conformal Funnels in Catalytic Processes
Thantip Roongcharoen, Giorgio Conter, Giacomo Melani, et al.
The Journal of Physical Chemistry. B
|
November 17, 2006
Electronic and structural shell closure in AgCu and AuCu nanoclusters
Giovanni Barcaro, Alessandro Fortunelli, Giulia Rossi, et al.
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of 12
Search research articles
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Showing results (31-40 of 111) with videos related to
Sort By:
Page
of 12
Journal of the American Chemical Society
|
November 28, 2018
QM-Mechanism-Based Hierarchical High-Throughput in Silico Screening Catalyst Design for Ammonia Synthesis
Qi An, Yidi Shen, Alessandro Fortunelli, et al.
Journal of Computational Chemistry
|
September 28, 2015
Does enhanced oxygen activation always facilitate CO oxidation on gold clusters?
Krishnakanta Mondal, Arup Banerjee, Alessandro Fortunelli, et al.
Journal of the American Chemical Society
|
April 10, 2020
Si-Doped Fe Catalyst for Ammonia Synthesis at Dramatically Decreased Pressures and Temperatures
Qi An, Molly Mcdonald, Alessandro Fortunelli, et al.
Accounts of Chemical Research
|
April 7, 2022
Reaction Mechanisms, Kinetics, and Improved Catalysts for Ammonia Synthesis from Hierarchical High Throughput Catalyst Design
Jon Fuller, Qi An, Alessandro Fortunelli, et al.
The Journal of Chemical Physics
|
March 24, 2018
Perspective: Size selected clusters for catalysis and electrochemistry
Avik Halder, Larry A Curtiss, Alessandro Fortunelli, et al.
Nanoscale
|
February 17, 2015
Optimizing the oxygen evolution reaction for electrochemical water oxidation by tuning solvent properties
Alessandro Fortunelli, William A Goddard, Luca Sementa, et al.
Journal of Chemical Theory and Computation
|
August 30, 2024
Machine-Learning-Accelerated DFT Conformal Sampling of Catalytic Processes
Thantip Roongcharoen, Giorgio Conter, Luca Sementa, et al.
ACS Nano
|
February 12, 2009
Interface-stabilized phases of metal-on-oxide nanodots
Riccardo Ferrando, Giulia Rossi, Florin Nita, et al.
Journal of Chemical Theory and Computation
|
August 15, 2025
Extrapolation Techniques in Database Construction for Machine-Learning Potentials: Achieving Subchemical Accuracy in Sampling Conformal Funnels in Catalytic Processes
Thantip Roongcharoen, Giorgio Conter, Giacomo Melani, et al.
The Journal of Physical Chemistry. B
|
November 17, 2006
Electronic and structural shell closure in AgCu and AuCu nanoclusters
Giovanni Barcaro, Alessandro Fortunelli, Giulia Rossi, et al.
Page
of 12