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Accounts of Chemical Research
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June 28, 2014
Oxygen transport in perovskite-type solid oxide fuel cell materials: insights from quantum mechanics
Ana B Muñoz-García, Andrew M Ritzmann, Michele Pavone, et al.
The Journal of Chemical Physics
|
June 1, 2022
Quantum alchemy beyond singlets: Bonding in diatomic molecules with hydrogen
Emily A Eikey, Alex M Maldonado, Charles D Griego, et al.
The Journal of Chemical Physics
|
February 16, 2022
Evaluating quantum alchemy of atoms with thermodynamic cycles: Beyond ground electronic states
Emily A Eikey, Alex M Maldonado, Charles D Griego, et al.
The Journal of Chemical Physics
|
February 12, 2015
Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons
Victor B Oyeyemi, David B Krisiloff, John A Keith, et al.
Chemical Reviews
|
July 7, 2021
Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems
John A Keith, Valentin Vassilev-Galindo, Bingqing Cheng, et al.
ACS Catalysis
|
June 27, 2024
Interplay between Catalyst Corrosion and Homogeneous Reactive Oxygen Species in Electrochemical Ozone Production
Rayan Alaufey, Lingyan Zhao, Andrew Lindsay, et al.
ACS Catalysis
|
November 13, 2025
Electrochemical Corrosion and Catalysis Dynamics of Tin Oxide during Water Oxidation
Rayan Alaufey, Lingyan Zhao, Christina Lents, et al.
Journal of the American Chemical Society
|
September 12, 2008
Regioselective de novo synthesis of cyanohydroxypyridines with a concerted cycloaddition mechanism
Jin-Yong Lu, John A Keith, Wei-Zheng Shen, et al.
The Journal of Physical Chemistry. A
|
January 4, 2021
Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms
Alex M Maldonado, Satoshi Hagiwara, Tae Hoon Choi, et al.
Journal of Chemical Theory and Computation
|
July 18, 2022
A Bond-Energy/Bond-Order and Populations Relationship
Barbaro Zulueta, Sonia V Tulyani, Phillip R Westmoreland, et al.
Page
of 5
Search research articles
Search
Showing results (31-40 of 46) with videos related to
Sort By:
Page
of 5
Accounts of Chemical Research
|
June 28, 2014
Oxygen transport in perovskite-type solid oxide fuel cell materials: insights from quantum mechanics
Ana B Muñoz-García, Andrew M Ritzmann, Michele Pavone, et al.
The Journal of Chemical Physics
|
June 1, 2022
Quantum alchemy beyond singlets: Bonding in diatomic molecules with hydrogen
Emily A Eikey, Alex M Maldonado, Charles D Griego, et al.
The Journal of Chemical Physics
|
February 16, 2022
Evaluating quantum alchemy of atoms with thermodynamic cycles: Beyond ground electronic states
Emily A Eikey, Alex M Maldonado, Charles D Griego, et al.
The Journal of Chemical Physics
|
February 12, 2015
Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons
Victor B Oyeyemi, David B Krisiloff, John A Keith, et al.
Chemical Reviews
|
July 7, 2021
Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems
John A Keith, Valentin Vassilev-Galindo, Bingqing Cheng, et al.
ACS Catalysis
|
June 27, 2024
Interplay between Catalyst Corrosion and Homogeneous Reactive Oxygen Species in Electrochemical Ozone Production
Rayan Alaufey, Lingyan Zhao, Andrew Lindsay, et al.
ACS Catalysis
|
November 13, 2025
Electrochemical Corrosion and Catalysis Dynamics of Tin Oxide during Water Oxidation
Rayan Alaufey, Lingyan Zhao, Christina Lents, et al.
Journal of the American Chemical Society
|
September 12, 2008
Regioselective de novo synthesis of cyanohydroxypyridines with a concerted cycloaddition mechanism
Jin-Yong Lu, John A Keith, Wei-Zheng Shen, et al.
The Journal of Physical Chemistry. A
|
January 4, 2021
Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms
Alex M Maldonado, Satoshi Hagiwara, Tae Hoon Choi, et al.
Journal of Chemical Theory and Computation
|
July 18, 2022
A Bond-Energy/Bond-Order and Populations Relationship
Barbaro Zulueta, Sonia V Tulyani, Phillip R Westmoreland, et al.
Page
of 5