S. Okovytyy

发表

The mechanism of unimolecular decomposition of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane. A computational DFT study.

J. Leszczynski, S. Okovytyy, Y. Kholod, 2005, The journal of physical chemistry. A.

Reconstruction of STO-3G Family Basis Set for the Accurate Calculation of Magnetic Properties

J. Leszczynski, S. Okovytyy, K. Kapusta, 2018, Russian Journal of Physical Chemistry A.

Novel physically adapted STO##‐3G basis sets. Efficiency for prediction of second‐order electric and magnetic properties of aromatic hydrocarbons

V. Bolshakov, J. Leszczynski, S. Okovytyy, 2012 .

A Counterion‐Directed Approach to the Diels–Alder Paradigm: Cascade Synthesis of Tricyclic Fused Cyclopropanes

R. Paton, S. Okovytyy, R. Driver, 2016, Angewandte Chemie.

Role of Singlet Oxygen in the Degradation of Selected Insensitive Munitions Compounds: A Comprehensive, Quantum Chemical Investigation.

M. Shukla, J. Leszczynski, D. Leszczyńska, 2019, The journal of physical chemistry. A.

Is 2-oxabicyclobutane formed during the reaction of peroxyacids with cyclopropene? A high-level ab initio study

J. Leszczynski, S. Okovytyy, L. Gorb, 2002 .

Theoretical study of mechanism of 2,3-dihydro-1,5-benzodiazepin-2-ones hydrazinolysis.

Jerzy Leszczynski, J. Leszczynski, S. Okovytyy, 2009, The journal of physical chemistry. A.

Hydrazinolysis of 3-R-[1,2,4]triazino[2,3-c]quinazolin-2-ones. Synthetic and theoretical aspects.

J. Leszczynski, O. Shishkin, S. Shishkina, 2014, The journal of physical chemistry. A.

An analysis of stable forms of CL-20: A DFT study of conformational transitions, infrared and Raman spectra

J. Leszczynski, S. Okovytyy, Y. Kholod, 2007 .

Accurate calculations of dynamic first hyperpolarizability: Construction of physically justified slater‐type basis sets

J. Leszczynski, S. Okovytyy, K. Kapusta, 2014 .

Catalytic role of solvated electron in the spontaneous degradation of insensitive munition compounds: computational chemistry investigation

M. Shukla, J. Leszczynski, D. Leszczyńska, 2021, Structural Chemistry.

DFT M06-2X investigation of alkaline hydrolysis of nitroaromatic compounds.

J. Leszczynski, S. Okovytyy, L. Gorb, 2012, Chemosphere.

Probability of reaction pathways of amine with epoxides in the reagent ratio of 1:1 and 1:2

J. Leszczynski, S. Okovytyy, Iryna Borysenko, 2022, Structural Chemistry.

Use of dye aggregation phenomenon for spectrophotometric and SIA-LAV determination of bismuth(III) as a specific ion association complex between tetraiodobismuthate and Astra Phloxine

Y. Bazel, S. Okovytyy, A. Vishnikin, 2021, Journal of Molecular Structure.

Correction to "Origin of Substituent Effect on Tautomeric Behavior of 1,2,4-Triazole Derivatives: Combined Spectroscopic and Theoretical Study".

J. Leszczynski, S. Okovytyy, E. Voronkov, 2016, The journal of physical chemistry. A.

STRUCTURE AND REDOX PROPERTIES OF 2 , 4 , 6 , 8 , 10 , 12-HEXANITRO-2 , 4 , 6 , 8 , 10 , 12-HEXAAZAISOWURTZITANE ( CL-20 ) ADSORBED ON A SILICA SURFACE . M 05 COMPUTATIONAL STUDY

S. Okovytyy, L. Gorb, L. Sviatenko, 2016 .

Origin of Substituent Effect on Tautomeric Behavior of 1,2,4-Triazole Derivatives: Combined Spectroscopic and Theoretical Study.

J. Leszczynski, S. Okovytyy, E. Voronkov, 2016, The journal of physical chemistry. A.

Alkaline hydrolysis of hexahydro-1,3,5-trinitro-1,3,5-triazine: M06-2X investigation.

J. Leszczynski, D. Leszczyńska, S. Okovytyy, 2015, Chemosphere.

Interaction of 3‐(2‐Aminophenyl)‐6‐R1‐1,2,4‐triazin‐5‐ones with Acylating Reagents: An Efficient Method for Preparation of 6‐Substituted 3‐R1‐2H‐[1,2,4]triazino[2,3‐c]quinazolin‐2‐ones

O. Shishkin, S. Okovytyy, S. Kovalenko, 2016 .

H NMR SPECTRA OF N-METHYL-4-TOLYL-1-( 4-BROMONAPH-THYL )-AMINE AND N-PHENYL-1-( 4-BROMONAPHTHYL )-AMINE : A COMBINED EXPERIMENTAL AND THEORETICAL STUDY

J. Leszczynski, L. Dmitrikova, S. Okovytyy, 2014 .

Identification of the stereoisomers of tetrahydroindene diepoxide by the 1H and 13C NMR characteristics : A combined experimental and theoretical study

J. Leszczynski, S. Okovytyy, V. Rossikhin, 2005 .

Accurate calculations of second-order electric and magnetic properties: Two ways of physically justified modifications of basis sets

V. Bolshakov, J. Leszczynski, S. Okovytyy, 2010 .

Ethanolysis of N-substituted norbornane epoxyimides: discovery of diverse pathways depending on substituent's character.

J. Leszczynski, D. Kosenkov, S. Shishkina, 2010, Organic & biomolecular chemistry.

COMBINED STUDY OF THE TAUTOMERISM AND SPECTRAL PARAMETERS OF AZO DYES BASED ON A NUMBER OF ISOMERIC N-TOLYLNAPHTHYLAMINES

S. Okovytyy, Iryna Borysenko, Svitlana D. Koptіeva, 2021 .

Corrigendum: Catalytic enantioselective synthesis of indanes by a cation-directed 5-endo-trig cyclization.

R. Paton, S. Okovytyy, C. P. Johnston, 2015, Nature chemistry.

A reinvestigation of the mechanism of epoxidation of alkenes by peroxy acids. A CASSCF and UQCISD study

J. Leszczynski, S. Okovytyy, L. Gorb, 2002 .

DFT Study on Tautomerism of Dihydro‐2H‐1,5‐benzodiazepin‐2‐ones and Dihydro‐2H‐1,5‐benzodiazepine‐2‐thiones

J. Leszczynski, S. Okovytyy, L. Sviatenko, 2010 .

In silico kinetics of alkaline hydrolysis of 1,3,5-trinitro-1,3,5-triazinane (RDX): M06-2X investigation.

M. Shukla, J. Leszczynski, D. Leszczyńska, 2017, Environmental science. Processes & impacts.

New insight on the mechanism of 2-oxabicyclobutane fragmentation. A high-level ab initio study

J. Leszczynski, S. Okovytyy, L. Gorb, 2001 .

Synthesis and characterization of sulfolane-based amino alcohols: A combined experimental and computational study

V. Palchykov, O. Shishkin, S. Okovytyy, 2018 .

Reactions of 2Н(4Н)-chromenes with dinucleophiles: one-step synthesis of 2-(1H-(bi)pyrazol-3-yl)- and 2-(1,4(5)-(benzo)diazepin-4-yl)phenols

S. Okovytyy, S. Varenichenko, O. Farat, 2018, Chemistry of Heterocyclic Compounds.

Catalytic enantioselective synthesis of indanes by a cation-directed 5-endo-trig cyclization

R. Paton, S. Okovytyy, C. P. Johnston, 2015, Nature Chemistry.

Dimethyl Acetylenedicarboxylate in Reactions with Substituted 3-(2-aminophenyl)-6-R1-1,2,4-triazin-5-(2H)-ones: Structure and Properties of the Products

S. Shishkina, S. Okovytyy, Olexii Yu. Voskoboynik, 2017 .

Quantum-Chemical Investigation of Epoxidic Compounds Transformation. Application for In Vitro and In Vivo Processes Modeling

S. Okovytyy, 2014 .

Novel xanthene push-pull chromophores and luminophores: Synthesis and study of their spectral properties

S. Okovytyy, A. Tatarets, I. Ananyev, 2017 .

Ligand‐Mediated Regioselective Rhodium‐Catalyzed Benzotriazole–Allene Coupling: Mechanistic Exploration and Quantum Chemical Analysis

Trevor A. Hamlin, F. Bickelhaupt, T. Hamlin, 2019, Chemistry.

Mechanisms and Kinetics of CL-20 Modes of Transformation via Alkali Hydrolysis and via Photolysis and Thermolysis Free Radical Reactions

O. Isayev, J. Leszczynski, V. Boddu, 2010 .

Copper Crystallization from Aqueous Solution: Initiation and Evolution of the Polynuclear Clusters

J. Leszczynski, S. Okovytyy, V. Polonskyy, 2017, Journal of Cluster Science.

Stereochemistry of the epoxidation of bicyclo[2.2.1]hept-2-ene and its 7-syn-substituted derivatives. A DFT study

S. Okovytyy, Oleksandr Zhurakovskyi, 2014 .

In Silico Alkaline Hydrolysis of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine: Density Functional Theory Investigation.

M. Shukla, J. Leszczynski, D. Leszczyńska, 2016, Environmental science & technology.

Are 1,5- and 1,7-dihydrodiimidazo[4,5-b:4′,5′-e]pyrazine the main products of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) alkaline hydrolysis? A DFT study of vibrational spectra

J. Leszczynski, J. Furey, S. Okovytyy, 2006 .

Efficient approach for exploring the multiple-channel bimolecular interactions of conformationally flexible reagents. Epoxide ring opening reaction

J. Leszczynski, S. Okovytyy, L. Sviatenko, 2020, Structural Chemistry.

Application of Computational Approaches to Analysis of Multistep Chemical Reactions of Energetic Materials: Hydrolysis of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (RDX) and Octahydro-1,3,5,7-Tetranitro-1,3,5,7-Tetrazocine(HMX)

M. Shukla, J. Leszczynski, D. Leszczyńska, 2021, Practical Aspects of Computational Chemistry V.

Azabrendanes V. Synthesis and reactions of stereoisomeric exo- and endo-5-aminomethylbicyclo[2.2.1]hept-2-ene-based ureas

S. Okovytyy, I. Tarabara, L. Kasyan, 2008 .

CL-20 photodecomposition: ab initio foundations for identification of products.

J. Leszczynski, D. Kosenkov, S. Okovytyy, 2008, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Comprehensive investigations of kinetics of alkaline hydrolysis of TNT (2,4,6-trinitrotoluene), DNT (2,4-dinitrotoluene), and DNAN (2,4-dinitroanisole).

J. Leszczynski, C. Kinney, S. Okovytyy, 2014, Environmental science & technology.

Synthesis, Tautomerism, and Antiradical Activity of Novel Pteridinetrione Derivatives

O. Karpenko, S. Okovytyy, I. Nosulenko, 2018 .

Probability of reaction pathways of amine with epoxides in the reagent ratio of 1:1 and 1:2

J. Leszczynski, S. Okovytyy, Iryna Borysenko, 2022, Structural Chemistry.

Azabrendanes IV. Synthesis and characterization of N-(alkyl- and benzylsulfonyl)-exo-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonanes

S. Shishkina, O. Shishkin, S. Okovytyy, 2007 .

SHE ALWAYS WORKED WITH INSPIRATION AND WAS ABLE TO INSPIRE OTHERS

Nadiia V. Stets, V. Palchykov, S. Okovytyy, 2023 .

METHODS OF SYNTHESIS OF QUINAZOLINES AND THEIR CONDENSED ANALOGUES – POTENTIAL ANTI-INFLAMMATORY AGENTS (REVIEW)

S. Okovytyy, N. Krasovska, Сергій І. Оковитий, 2023 .

Catalytic enantioselective synthesis of indanes by a cation-directed 5-endo-trig cyclization

R. Paton, S. Okovytyy, C. P. Johnston, 2015, Nature Chemistry.

Synthesis and hydrolytic decomposition of 2-hetaryl[1,2,4]triazolo[1,5-c]quinazolines: DFT study

S. Okovytyy, L. Sviatenko, S. Kovalenko, 2023, Structural Chemistry.

5+1-Heterocyclization as preparative approach for carboxy-containing triazolo[1,5-c]quinazolines with anti-inflammatory activity.

S. Okovytyy, I. Nosulenko, N. Krasovska, 2024, European journal of medicinal chemistry.

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 synthesized

S. Shishkina, S. Okovytyy, O. Y. Voskoboynik, 2015 .