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Journal of the American Chemical Society|December 5, 2008
Path sampling calculation of methane diffusivity in natural gas hydrates from a water-vacancy assisted mechanismBaron Peters, Nils E R Zimmermann, Gregg T Beckham, et al.
The Journal of Physical Chemistry Letters|January 11, 2018
Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion ModelsNils E R Zimmermann, Daniel C Hannah, Ziqin Rong, et al.
Inorganic Chemistry|January 8, 2021
Benchmarking Coordination Number Prediction Algorithms on Inorganic Crystal StructuresHillary Pan, Alex M Ganose, Matthew Horton, et al.
The Journal of Chemical Physics|June 17, 2018
NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimatesNils E R Zimmermann, Bart Vorselaars, Jorge R Espinosa, et al.
Angewandte Chemie (International Ed. in English)|October 9, 2015
Transport in Nanoporous Materials Including MOFs: The Applicability of Fick's LawsTobias Titze, Alexander Lauerer, Lars Heinke, et al.
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