Biblio

Found 7 results
Filters: Author is J.R. Schmidt  [Clear All Filters]
2019
Hermes ED, Janes AN, Schmidt J.R..  2019.  Micki: A python-based object-oriented microkinetic modeling code. Journal of Chemical Physics. 151
2018
Van Vleet MJ, Weng T, Li X, Schmidt J.R..  2018.  In Situ, Time-Resolved, and Mechanistic Studies of Metal–Organic Framework Nucleation and Growth. Chemical Reviews. 118(7):10.1021/acs.jpca.8b12311.
Han C, Zheng C, Tymińska N, Schmidt J.R., Sholl DS.  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.
Hermes ED, Janes AN, Schmidt J.R..  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.
Van Vleet MJ, Misquitta AJ, Schmidt J.R..  2018.  New Angles on Standard Force Fields: Toward a General Approach for Treating Atomic-Level Anisotropy. J. Chem. Theory Comput.. 14(2):739-758.
2017
Song B, Li K, Yin Y, Wu T, Dang L, Cabán-Acevedo M, Han J, Gao T, Wang X, Zhang Z et al..  2017.  Tuning Mixed Nickel Iron Phosphosulfide Nanosheet Electrocatalysts for Enhanced Hydrogen and Oxygen Evolution. ACS Catalysis. 7(12):8549-8557.
2016
Christi I, Ruiz M, Schmidt J.R., Pederson JA.  2016.  Clarithromycin and Tetracycline Binding to Soil Humic Acid in the Absence and Presence of Calcium. Environmental Science Technology. 50(18):9933-9942.