The Mechanism of Unimolecular Decomposition of 2, 4, 6, 8, 10, 12-Hexanitro-2, 4, 6, 8, 10, 12-hexaazaisowurtzitane. A Computational DFT Study S Okovytyy, Y Kholod, M Qasim, H Fredrickson, J Leszczynski The Journal of Physical Chemistry A 109 (12), 2964-2970, 2005 | 106 | 2005 |
Catalytic enantioselective synthesis of indanes by a cation-directed 5-endo-trig cyclization CP Johnston, A Kothari, T Sergeieva, SI Okovytyy, KE Jackson, RS Paton, ... Nature chemistry 7 (2), 171-177, 2015 | 102 | 2015 |
An analysis of stable forms of CL-20: A DFT study of conformational transitions, infrared and Raman spectra Y Kholod, S Okovytyy, G Kuramshina, M Qasim, L Gorb, J Leszczynski Journal of Molecular Structure 843 (1-3), 14-25, 2007 | 102 | 2007 |
Comprehensive investigations of kinetics of alkaline hydrolysis of TNT (2, 4, 6-trinitrotoluene), DNT (2, 4-dinitrotoluene), and DNAN (2, 4-dinitroanisole) L Sviatenko, C Kinney, L Gorb, FC Hill, AJ Bednar, S Okovytyy, ... Environmental Science & Technology 48 (17), 10465-10474, 2014 | 71 | 2014 |
DFT M06-2X investigation of alkaline hydrolysis of nitroaromatic compounds FC Hill, LK Sviatenko, L Gorb, SI Okovytyy, GS Blaustein, J Leszczynski Chemosphere 88 (5), 635-643, 2012 | 63 | 2012 |
A reinvestigation of the mechanism of epoxidation of alkenes by peroxy acids. A CASSCF and UQCISD study S Okovytyy, L Gorb, J Leszczynski Tetrahedron letters 43 (23), 4215-4219, 2002 | 44 | 2002 |
Alitsiklicheskie epoksidnye soedineniya LI Kas’yan, MF Seferova, SI Okovityi Reaktsionnaya sposobnost, 1, 1996 | 35 | 1996 |
Computational study of the aminolysis of anhydrides: effect of the catalysis to the reaction of succinic anhydride with methylamine in gas phase and nonpolar solution T Petrova, S Okovytyy, L Gorb, J Leszczynski The Journal of Physical Chemistry A 112 (23), 5224-5235, 2008 | 33 | 2008 |
Hydrazinolysis of 3-R-[1,2,4]Triazino[2,3-c]quinazolin-2-ones. Synthetic and Theoretical Aspects TY Sergeieva, OY Voskoboynik, SI Okovytyy, SI Kovalenko, SV Shishkina, ... The Journal of Physical Chemistry A 118 (10), 1895-1905, 2014 | 30 | 2014 |
Novel physically adapted STO##‐3G basis sets. Efficiency for prediction of second‐order electric and magnetic properties of aromatic hydrocarbons E Voronkov, V Rossikhin, S Okovytyy, A Shatckih, V Bolshakov, ... International Journal of Quantum Chemistry 112 (12), 2444-2449, 2012 | 30 | 2012 |
Azabrendanes. II. Chemo‐, regio‐ and stereoselective transformation of 3‐oxatricyclo[3.2.1.02,4]octane‐endo‐6‐carbonitrile in reaction with lithium aluminum … LI Kasyan, SI Okovity, AO Kasyan Heteroatom Chemistry 8 (2), 185-190, 1997 | 27 | 1997 |
Prediction of CL-20 chemical degradation pathways, theoretical and experimental evidence for dependence on competing modes of reaction M Qasim, H Fredrickson, P Honea, J Furey, J Leszczynski, S Okovytyy, ... SAR and QSAR in Environmental Research 16 (5), 495-515, 2005 | 24 | 2005 |
An investigation of the 17O NMR chemical shifts in oxiranes using magnetically corrected basis sets VV Rossikhin, SI Okovytyy, LI Kasyan, EO Voronkov, LK Umrikhina, ... The Journal of Physical Chemistry A 106 (16), 4176-4180, 2002 | 23 | 2002 |
Reactions of alicyclic epoxy compounds with nitrogen-containing nucleophiles LI Kas' Yan, SI Okovityi, AO Kas' Yan Russian journal of organic chemistry 40, 1-34, 2004 | 22 | 2004 |
Hydrolytic cleavage of the pyrimidine ring in 2-aryl-[1, 2, 4] triazole [1, 5-c] quinazolines: physico-chemical properties and the hypoglycemic activity of the compounds … SV Kholodnyak, KP Schabelnyk, GA Shernova, TY Sergeieva, VV Ivchuk, ... News of pharmacy, 9-17, 2015 | 21 | 2015 |
Azacycloalkanes from epoxides and aziridines LI Kas’ yan, VA Pal’Chikov, YS Bondarenko Russian Journal of Organic Chemistry 47, 1609-1652, 2011 | 21 | 2011 |
Ligand‐Mediated Regioselective Rhodium‐Catalyzed Benzotriazole–Allene Coupling: Mechanistic Exploration and Quantum Chemical Analysis T Sergeieva, TA Hamlin, S Okovytyy, B Breit, FM Bickelhaupt Chemistry–A European Journal 26 (11), 2342-2348, 2020 | 20 | 2020 |
In silico kinetics of alkaline hydrolysis of 1, 3, 5-trinitro-1, 3, 5-triazinane (RDX): M06-2X investigation LK Sviatenko, L Gorb, D Leszczynska, SI Okovytyy, MK Shukla, ... Environmental Science: Processes & Impacts 19 (3), 388-394, 2017 | 20 | 2017 |
Azabrendanes IV. Synthesis and characterization of N-(alkyl-and benzylsulfonyl)-exo-2-hydroxy-4-azatricyclo [4.2. 1.03, 7] nonanes LI Kasyan, IN Tarabara, AO Kasyan, SI Okovytyy, AV Tokar, SV Shishkina, ... Tetrahedron 63 (8), 1790-1797, 2007 | 20 | 2007 |
Stereoisomeric N-Alkyl(aralkyl)-5-aminomethylbicyclo[2.2.1]-hept-2-enes: Synthesis, 1H NMR spectra, and reactions with electrophilic reagents AO Kas' yan, IN Tarabara, LI Kas' yan, SI Okovityi, ET Zlenko Russian journal of organic chemistry 35 (7), 1018-1031, 1999 | 19 | 1999 |