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Journal of Chemical Theory and Computation|December 4, 2015
CuNO2 and Cu(+)NO2 Revisited: A Comparative ab Initio and DFT StudyStepan Sklenak, Jan HrušákChemical Society Reviews|January 19, 2026
Alpha oxygen - a unique oxidation active site from a quantum chemical viewpointStepan Sklenak, Jiri DedecekChemsuschem|December 22, 2018
Tuning the Aluminum Distribution in Zeolites to Increase their Performance in Acid-Catalyzed ReactionsJiri Dědeček, Edyta Tabor, Stepan SklenakThe Journal of Physical Chemistry. B|July 21, 2006
A molecular dynamics exploration of the catalytic mechanism of yeast cytosine deaminaseLishan Yao, Stepan Sklenak, Honggao Yan, et al.Journal of the American Chemical Society|November 13, 2004
Catalytic mechanism of yeast cytosine deaminase: an ONIOM computational studyStepan Sklenak, Lishan Yao, Robert I Cukier, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|January 19, 2016
Location of Framework Al Atoms in the Channels of ZSM-5: Effect of the (Hydrothermal) SynthesisVeronika Pashkova, Stepan Sklenak, Petr Klein, et al.Chemical Communications (Cambridge, England)|March 10, 2021
Dioxygen splitting at room temperature over distant binuclear transition metal centers in zeolites for direct oxidation of methane to methanolKinga Mlekodaj, Mariia Lemishka, Stepan Sklenak, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 16, 2013
Mechanism of framework oxygen exchange in Fe-zeolites: a combined DFT and mass spectrometry studyProkopis C Andrikopoulos, Zdenek Sobalik, Jana Novakova, et al.Journal of the American Chemical Society|April 25, 2002
A comprehensive investigation of the chemistry and basicity of a parent amidoruthenium complexJ Robin Fulton, Stepan Sklenak, Marco W Bouwkamp, et al.Journal of the American Chemical Society|August 31, 2006
Permanganate oxidation of alkenes. Substituent and solvent effects. Difficulties with MP2 calculationsKenneth B Wiberg, Yi-gui Wang, Stepan Sklenak, et al.Pageof 2