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The Journal of Chemical Physics
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December 15, 2020
The role of high-order electron correlation effects in a model system for non-valence correlation-bound anions
Shiv Upadhyay, Amanda Dumi, James Shee, et al.
The Journal of Chemical Physics
|
April 16, 2022
The binding of atomic hydrogen on graphene from density functional theory and diffusion Monte Carlo calculations
Amanda Dumi, Shiv Upadhyay, Leonardo Bernasconi, et al.
The Journal of Physical Chemistry. A
|
November 14, 2025
A Comparison of Electronic Structure Methods for Predicting the Hydrogenation Energies of Candidate Molecules for Hydrogen Storage
Amanda Dumi, Shiv Upadhyay, Hassan Harb, et al.
The Journal of Chemical Physics
|
June 3, 2025
Low-frequency Raman spectra of amyloid fibrils
Madeline Harper, Amanda Dumi, Shiv Upadhyay, et al.
The Journal of Chemical Physics
|
July 25, 2024
cclib 2.0: An updated architecture for interoperable computational chemistry
Eric Berquist, Amanda Dumi, Shiv Upadhyay, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
December 15, 2020
The role of high-order electron correlation effects in a model system for non-valence correlation-bound anions
Shiv Upadhyay, Amanda Dumi, James Shee, et al.
The Journal of Chemical Physics
|
April 16, 2022
The binding of atomic hydrogen on graphene from density functional theory and diffusion Monte Carlo calculations
Amanda Dumi, Shiv Upadhyay, Leonardo Bernasconi, et al.
The Journal of Physical Chemistry. A
|
November 14, 2025
A Comparison of Electronic Structure Methods for Predicting the Hydrogenation Energies of Candidate Molecules for Hydrogen Storage
Amanda Dumi, Shiv Upadhyay, Hassan Harb, et al.
The Journal of Chemical Physics
|
June 3, 2025
Low-frequency Raman spectra of amyloid fibrils
Madeline Harper, Amanda Dumi, Shiv Upadhyay, et al.
The Journal of Chemical Physics
|
July 25, 2024
cclib 2.0: An updated architecture for interoperable computational chemistry
Eric Berquist, Amanda Dumi, Shiv Upadhyay, et al.
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of 1