| 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 | 69 | 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 | 61 | 2012 |
| Toward robust computational electrochemical predicting the environmental fate of organic pollutants L Sviatenko, O Isayev, L Gorb, F Hill, L Jerzy Journal of Computational Chemistry 32 (10), 2195-2203, 2011 | 46 | 2011 |
| Theoretical study of ionization and one‐electron oxidation potentials of N‐heterocyclic compounds LK Sviatenko, L Gorb, FC Hill, J Leszczynski Journal of Computational Chemistry 34 (13), 1094-1100, 2013 | 27 | 2013 |
| 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 |
| In silico alkaline hydrolysis of octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine: Density functional theory investigation LK Sviatenko, L Gorb, FC Hill, D Leszczynska, MK Shukla, SI Okovytyy, ... Environmental Science & Technology 50 (18), 10039-10046, 2016 | 17 | 2016 |
| Interaction of 2′-Deoxyadenosine with cis-2-Butene-1,4-dial: Computational Approach to Analysis of Multistep Chemical Reactions L Sviatenko, L Gorb, D Hovorun, J Leszczynski The Journal of Physical Chemistry A 116 (9), 2333-2342, 2012 | 17 | 2012 |
| A quantum chemical based toxicity study of estimated reduction potential and hydrophobicity in series of nitroaromatic compounds A Gooch, N Sizochenko, L Sviatenko, L Gorb, J Leszczynski SAR and QSAR in Environmental Research 28 (2), 133-150, 2017 | 16 | 2017 |
| Alkaline hydrolysis of hexahydro-1, 3, 5-trinitro-1, 3, 5-triazine: M06-2X investigation LK Sviatenko, L Gorb, FC Hill, D Leszczynska, SI Okovytyy, J Leszczynski Chemosphere 134, 31-38, 2015 | 16 | 2015 |
| Structure and Redox Properties of 5-Amino-3-nitro-1H-1,2,4-triazole (ANTA) Adsorbed on a Silica Surface: A DFT M05 Computational Study LK Sviatenko, L Gorb, FC Hill, D Leszczynska, J Leszczynski The Journal of Physical Chemistry A 119 (29), 8139-8145, 2015 | 16 | 2015 |
| Are the reduction and oxidation properties of nitrocompounds dissolved in water different from those produced when adsorbed on a silica surface? A DFT M05‐2X computational study LK Sviatenko, O Isayev, L Gorb, FC Hill, D Leszczynska, J Leszczynski Journal of Computational Chemistry 36 (14), 1029-1035, 2015 | 16 | 2015 |
| Theoretical study of one-electron reduction and oxidation potentials of N-heterocyclic compounds LK Sviatenko, L Gorb, FC Hill, D Leszczynska, J Leszczynski Chemistry of Heterocyclic Compounds 50, 311-318, 2014 | 16 | 2014 |
| DFT Study on Tautomerism of Dihydro‐2H‐1,5‐benzodiazepin‐2‐ones and Dihydro‐2H‐1,5‐benzodiazepine‐2‐thiones SI Okovytyy, LK Sviatenko, AA Gaponov, LI Kasyan, IN Tarabara, ... European Journal of Organic Chemistry 2010 (2), 280-291, 2010 | 16 | 2010 |
| Adsorption of 2, 4, 6, 8, 10, 12-hexanitro-2, 4, 6, 8, 10, 12-hexaazaisowurtzitane (CL-20) on a soil organic matter. A DFT M05 computational study LK Sviatenko, L Gorb, MK Shukla, JM Seiter, D Leszczynska, ... Chemosphere 148, 294-299, 2016 | 13 | 2016 |
| NTO degradation by direct photolysis: DFT study LK Sviatenko, L Gorb, J Leszczynski Structural Chemistry 34 (1), 23-31, 2023 | 9 | 2023 |
| Theoretical study of mechanism of 2, 3-dihydro-1, 5-benzodiazepin-2-ones hydrazinolysis SI Okovytyy, LK Sviatenko, AO Gaponov, IN Tarabara, LI Kasyan, ... The Journal of Physical Chemistry A 113 (8), 1475-1480, 2009 | 9 | 2009 |
| Comprehensive DFT and MP2 level investigations of reaction of 2, 3-dihydro-1, 5-benzodiazepine-2-thiones with hydrazine SI Okovytyy, LK Sviatenko, AO Gaponov, IN Tarabara, LI Kasyan, ... The Journal of Physical Chemistry A 113 (42), 11376-11381, 2009 | 8 | 2009 |
| Role of singlet oxygen in the degradation of selected insensitive munitions compounds: a comprehensive, quantum chemical investigation LK Sviatenko, L Gorb, D Leszczynska, SI Okovytyy, MK Shukla, ... The Journal of Physical Chemistry A 123 (35), 7597-7608, 2019 | 6 | 2019 |
| Interaction of 2'-deoxyguanosine with cis-2-butene-1, 4-dial: Computational approach to analysis of multistep chemical reactions LK Sviatenko, LG Gorb, DM Hovorun, J Leszczynski Biopolymers and cell, 239-246, 2014 | 6 | 2014 |
| Chemical shifts of 13C and 1H nuclei in NMR spectra of olefins LK Sviatenko, S Okovytyy, LI Kasyan Visn. Dnipropetr. Univ.: Khim, 70-75, 2005 | 6 | 2005 |
