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top-articles
Materials Science and Engineering Program
9
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107
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all documents
110
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72
citing journals
Top Articles
#
Title
Journal
Year
Citations
1
Birnessite: A Layered Manganese Oxide To Capture Sunlight for Water-Splitting Catalysis
Journal of Physical Chemistry C
2015
75
2
Embedding non-collinear two-component electronic structure in a collinear quantum environment
Journal of Chemical Physics
2019
9
3
Hydroxyaromatic Fluorophores
ACS Omega
2021
7
4
General Theory of Absorption in Porous Materials: Restricted Multilayer Theory
ACS Applied Materials & Interfaces
2018
5
5
Large Impact of Approximate Exchange-Correlation Functionals on Modeling the Water Gas Shift Reaction on Copper
Journal of Physical Chemistry C
2020
5
6
Analytical energy gradient for the embedded cluster density approximation
Journal of Chemical Physics
2019
3
7
Wavelength‐decomposition‐based embedded cluster density approximation for systems with nonlocal electron correlation
International Journal of Quantum Chemistry
2020
3
8
Efficient Embedded Cluster Density Approximation Calculations with an Orbital-Free Treatment of Environments
Journal of Chemical Theory and Computation
2021
3
9
Analytical Forces for the Optimized Effective Potential Calculations
Journal of Chemical Theory and Computation
2023
0
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