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Journal of Chemical Theory and Computation
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July 5, 2022
How Good Is the Density-Corrected SCAN Functional for Neutral and Ionic Aqueous Systems, and What Is So Right about the Hartree-Fock Density?
Saswata Dasgupta, Chandra Shahi, Pradeep Bhetwal, et al.
Journal of Chemical Theory and Computation
|
January 4, 2023
Understanding Density-Driven Errors for Reaction Barrier Heights
Aaron D Kaplan, Chandra Shahi, Pradeep Bhetwal, et al.
Journal of Chemical Theory and Computation
|
June 28, 2024
How Does HF-DFT Achieve Chemical Accuracy for Water Clusters?
Aaron D Kaplan, Chandra Shahi, Raj K Sah, et al.
The Journal of Chemical Physics
|
August 24, 2020
Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory
Aaron D Kaplan, Biswajit Santra, Puskar Bhattarai, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
July 5, 2022
How Good Is the Density-Corrected SCAN Functional for Neutral and Ionic Aqueous Systems, and What Is So Right about the Hartree-Fock Density?
Saswata Dasgupta, Chandra Shahi, Pradeep Bhetwal, et al.
Journal of Chemical Theory and Computation
|
January 4, 2023
Understanding Density-Driven Errors for Reaction Barrier Heights
Aaron D Kaplan, Chandra Shahi, Pradeep Bhetwal, et al.
Journal of Chemical Theory and Computation
|
June 28, 2024
How Does HF-DFT Achieve Chemical Accuracy for Water Clusters?
Aaron D Kaplan, Chandra Shahi, Raj K Sah, et al.
The Journal of Chemical Physics
|
August 24, 2020
Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory
Aaron D Kaplan, Biswajit Santra, Puskar Bhattarai, et al.
Page
of 1