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Chemistry

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21
Nov
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Comparison of cholesterol transport capacity of peptide- and polymer-based lipid Nanodiscs
Nanomedicine-Nanotechnology Biology and Medicine
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k-Means Clustering in Fingerprint-Based Configuration Selection for Fitting Interatomic Potentials
Journal of Chemical Theory and Computation
21
Nov
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Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe–2S] Systems: A Benchmark Study of the [Fe2S2(SCH3)4]2–,3–,4–, [Fe2
Journal of Chemical Theory and Computation
21
Nov
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Non-adiabatic Couplings in Surface Hopping with Tight Binding Density Functional Theory: The Case of Molecular Motors
Journal of Chemical Theory and Computation
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Linear Response pCCD-Based Methods: LR-pCCD and LR-pCCD+S Approaches for the Efficient and Reliable Modeling of Excited State Properties
Journal of Chemical Theory and Computation
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