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Top Articles

#TitleJournalYearCitations
1Birnessite: A Layered Manganese Oxide To Capture Sunlight for Water-Splitting CatalysisJournal of Physical Chemistry C201575
2Embedding non-collinear two-component electronic structure in a collinear quantum environmentJournal of Chemical Physics20199
3Hydroxyaromatic FluorophoresACS Omega20217
4General Theory of Absorption in Porous Materials: Restricted Multilayer TheoryACS Applied Materials & Interfaces20185
5Large Impact of Approximate Exchange-Correlation Functionals on Modeling the Water Gas Shift Reaction on CopperJournal of Physical Chemistry C20205
6Analytical energy gradient for the embedded cluster density approximationJournal of Chemical Physics20193
7Wavelength‐decomposition‐based embedded cluster density approximation for systems with nonlocal electron correlationInternational Journal of Quantum Chemistry20203
8Efficient Embedded Cluster Density Approximation Calculations with an Orbital-Free Treatment of EnvironmentsJournal of Chemical Theory and Computation20213
9Analytical Forces for the Optimized Effective Potential CalculationsJournal of Chemical Theory and Computation20230