Found 7 results
Filters: Author is J.R. Schmidt [Clear All Filters]
Micki: A python-based object-oriented microkinetic modeling code. Journal of Chemical Physics. 151
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2019. In Situ, Time-Resolved, and Mechanistic Studies of Metal–Organic Framework Nucleation and Growth. Chemical Reviews. 118(7):10.1021/acs.jpca.8b12311.
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2018. Insights into the Stability of Zeolitic Imidazolate Frameworks in Humid Acidic Environments from First-Principles Calculations. J. Phys. Chem. C. 122(8):4339-4348.
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2018. Mechanistic insights into solution-phase oxidative esterification of primary alcohols on Pd(111) from first-principles microkinetic modeling. ACS Catalysis. 8(1):272-282.
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2018. New Angles on Standard Force Fields: Toward a General Approach for Treating Atomic-Level Anisotropy. J. Chem. Theory Comput.. 14(2):739-758.
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2018. Tuning Mixed Nickel Iron Phosphosulfide Nanosheet Electrocatalysts for Enhanced Hydrogen and Oxygen Evolution. ACS Catalysis. 7(12):8549-8557.
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2017. Clarithromycin and Tetracycline Binding to Soil Humic Acid in the Absence and Presence of Calcium. Environmental Science Technology. 50(18):9933-9942.
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2016.