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Journal of Chemical Theory and Computation|September 15, 2017
Efficient Implicit Solvation Method for Full Potential DFTMarkus Sinstein, Christoph Scheurer, Sebastian Matera, et al.
The Journal of Chemical Physics|January 22, 2018
Addressing global uncertainty and sensitivity in first-principles based microkinetic models by an adaptive sparse grid approachSandra Döpking, Craig P Plaisance, Daniel Strobusch, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|February 28, 2024
Kinetic Trapping of Charge-Transfer Molecules at Metal InterfacesAnna Werkovits, Simon B Hollweger, Max Niederreiter, et al.
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