- Journal of Catalysis 262 (2009) 2734 Contents lists available at ScienceDirect
- A Molecular Dynamics Exploration of the Catalytic Mechanism of Yeast Cytosine Lishan Yao,, Stepan Sklenak, Honggao Yan,*,, and Robert I. Cukier*,,
- A Comprehensive Investigation of the Chemistry and Basicity of a Parent Amidoruthenium Complex
- Effect of Al-Si-Al and Al-Si-Si-Al Pairs in the ZSM-5 Zeolite Framework on the 27 NMR Spectra. A Combined High-Resolution 27
- Catalytic Mechanism of Yeast Cytosine Deaminase: An ONIOM Computational Study
- The vibrational spectra including matrix isolation, conformations and ab initio calculations of 4-azidobut-1-yne
- Solvent Effects on Methyl Transfer Reactions. 2. The Reaction of Amines with Trimethylsulfonium Salts
- Permanganate Oxidation of Alkenes. Substituent and Solvent Effects. Difficulties with MP2 Calculations
- J. Am. Chem. SOC.1993, 115, 1495-1500 1495 but different widths or force constants (see eq A8e).
- 742 J. Chem. Inf. Comput.Sci. 1992,32, 142-147 Application of Recurrent Neural Networks in Chemistry. Prediction and Classification of 13C
- Aluminium siting in the ZSM-5 framework by combination of high resolution 27
- ALUMINUM SITING IN THE ZSM-22 AND THETA-1 ZEOLITES REVISITED: A QM/MM STUDY
- Cyano-, Nitro-, and Alkoxycarbonyl-Activated Observable Stable Enols of Carboxylic Acid Amides
- Computational Study of 10-X-2 Ate Complexes Derived from Vinyllithiums and Vinyl Halides
- Enols of Carboxylic Acid Amides with -Electron-Withdrawing Substituents
- The vibrational and NMR spectra, conformations and ab initio calculations of 1-aminoethylidene propanedinitrile and its
- N2O decomposition over Fe-zeolites: Structure of the active sites and the origin of the distinct reactivity of Fe-ferrierite, Fe-ZSM-5, and Fe-beta. A combined
- Stepan Sklenak Department of Theoretical Chemistry
- CuNO2 and Cu+ NO2 Revisited: A Comparative ab Initio
- Multiple Adsorption of NO on Fe2+ Cations in the r-and -Positions of Ferrierite: An Experimental and Density Functional Study
- Published: May 13, 2011 r 2011 American Chemical Society 11056 dx.doi.org/10.1021/jp200310b |J. Phys. Chem. C 2011, 115, 1105611064
- Effect of Al/Si Substitutions and Silanol Nests on the Local Geometry of Si and Al Framework Sites in Silicone-Rich Zeolites: A Combined High Resolution 27
- Solvation and Structural Effects on the Stability of 10-X-2 Ate-Complexes: A Computational Study
- Journal of Molecular Structure (Theochem), 271 (1992) 87-107 Elsevier Science Publishers B.V., Amsterdam
- DOI: 10.1002/anie.200702628 Aluminum Siting in Silicon-Rich Zeolite Frameworks: A Combined
- Role of Glutamate 64 in the Activation of the Prodrug 5-Fluorocytosine by Yeast Cytosine Deaminase
- FTIR and 27 Al MAS NMR analysis of the effect of framework Al-and Si-defects
