Konstantin V Bozhenko

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Konstantin V



Publications in SciGraph latest 50 shown

  • 2021-12 Quantum chemical study of the unusual structure of 3d metal complexes in the gas phase in RUSSIAN CHEMICAL BULLETIN
  • 2020-11-04 Formation of supramolecular synthons in the crystalline structure of the dinitrosyl iron complexes with aliphatic thiourea ligands in JOURNAL OF MOLECULAR MODELING
  • 2020-09-24 Catalytic Alkylation of Adamantane with Propylene: Quantum-Chemical Calculations and Experimental Data in PETROLEUM CHEMISTRY
  • 2018-01 Standard Enthalpy of Formation of the Bimolecular Crystal of CL-20 with Tris-Oxadiazolo-Azepine and Its Thermal Stability in COMBUSTION, EXPLOSION, AND SHOCK WAVES
  • 2016-12-28 Quantum-chemical modeling of exchange coupling in the magnetic sublattice of bifunctional compounds containing heterometallic complexes of 3d and 4d metals with oxalate and dithiooxamide ligands in STRUCTURAL CHEMISTRY
  • 2015-11 Molecular structures of new 2-(quinoline-2-yl)-1,3-tropolones in JOURNAL OF STRUCTURAL CHEMISTRY
  • 2014-07 Thiacalix[4]arene-containing M2Ln2 complexes (M = MnII, CoII; Ln = EuIII, PrIII): synthesis, structure, and magnetic properties in RUSSIAN CHEMICAL BULLETIN
  • 2014-01 Quantum chemical approaches to the explanation of differences in NO-donor activity of iron-sulfur nitrosyl complexes in RUSSIAN CHEMICAL BULLETIN
  • 2013-08 Quantum chemical study of the Cspiro-O bond dissociation in spiropyran molecules in RUSSIAN CHEMICAL BULLETIN
  • 2013-02 Synthesis, structure, and properties of a new representative of the family of calix[4]arene-containing [MnII2MnIII2]-clusters in RUSSIAN CHEMICAL BULLETIN
  • 2012-12-19 Comparison of pure and hybrid DFT functionals for geometry optimization and calculation of redox potentials for iron nitrosyl complexes with “μ-SCN” bridging ligands in THEORETICAL CHEMISTRY ACCOUNTS
  • 2012-12-19 Comparison of pure and hybrid DFT functionals for geometry optimization and calculation of redox potentials for iron nitrosyl complexes with “μ-SCN” bridging ligands in 8TH CONGRESS ON ELECTRONIC STRUCTURE: PRINCIPLES AND APPLICATIONS (ESPA 2012)
  • 2012-10 Redox properties of [Fe2(SC6H5)2(NO)4]: an experimental study and quantum chemical modeling in RUSSIAN CHEMICAL BULLETIN
  • 2011-12-24 Is graphene aromatic? in NANO RESEARCH
  • 2011-06 Magnetic exchange coupling in transition metal complexes with bidentate bridging ligands: a quantum chemical study in RUSSIAN CHEMICAL BULLETIN
  • 2010-06 Special features of ethylene epoxidation by peroxyacetic acid in RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B
  • 2010-04 A quantum-chemical study of the oxidation of ethylene by peroxyacetic acid derivatives in RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B
  • 2010-03-26 Copper complexes with N-aminotriazolethione azomethines: Structures and magnetochemical properties in RUSSIAN JOURNAL OF COORDINATION CHEMISTRY
  • 2010-03 Ferromagnetism, paramagnetism, and thermally induced magnetism in photomagnetic CrIII/MnII and CrIII oxalates with the 7-methyl-3,3-diphenyl-3H-pyrano[3,2-f]quinolinium cation in RUSSIAN CHEMICAL BULLETIN
  • 2010-03 Quantum chemical interpretation of different types of exchange magnetic interactions in dinuclear copper azomethine chelates in RUSSIAN CHEMICAL BULLETIN
  • 2009-07-22 A quantum-chemical study on the selectivity of photolysis of azido groups in 2,4,6-triazido-3,5-dichloropyridine in HIGH ENERGY CHEMISTRY
  • 2009-01 The energy parameters of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane polymorphs and their phase transitions in RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
  • 2008-09 Several aspects of intermolecular interactions between the carbonyl and imine groups in the crystals of compounds containing six-membered heterocycles in JOURNAL OF STRUCTURAL CHEMISTRY
  • 2008-09 Investigation of the molecular and crystalline structure of 2,4,6-triazido-3-chloro-5-trifluoromethylpyridine and rotation barrier of the γ-azidogroup around a C-N bond in BULLETIN OF THE RUSSIAN ACADEMY OF SCIENCES: PHYSICS
  • 2008-01 The dehydrogenation of isopropanol on a nickel-manganese catalyst subjected to treatment in glow-discharge oxygen, argon, and hydrogen plasmas in RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
  • 2005-10 The Role of Multicenter Hydrogen Bonds in Peracetic Acid Isomerization to the Corresponding Dioxirane in DOKLADY PHYSICAL CHEMISTRY
  • 2005-09 Tautomerism of peroxyacetic acid derivatives: a quantum chemical study in RUSSIAN CHEMICAL BULLETIN
  • 2003-01 The Role of Singlet and Triplet Dioxygen Molecules in the EPR and 1H NMR Spectrum Line Broadening in KINETICS AND CATALYSIS
  • 2002-06 Adducts of Singlet Dioxygen: The O4 Biradical and HO4 Radical in DOKLADY PHYSICAL CHEMISTRY
  • 1998-04 Ab initio study of the ground state and conformational stability of peroxyacetyl nitrate in internal rotation about the peroxide bond in RUSSIAN CHEMICAL BULLETIN
  • 1997-04 Conformational stability of peroxynitric acid molecule and the barriers to internal rotation about the O−O and N−O bonds in RUSSIAN CHEMICAL BULLETIN
  • 1996-07 Ab initio quantum-chemical calculations of interactions of ions and hydrides of alkali metals with C3H6 and C4H8 molecules in RUSSIAN CHEMICAL BULLETIN
  • 1995-12 Analysis of the electron density redistribution in the course of nucleophilic addition reactions of H− and F− to acetylene and methylacetylene molecules according toab initio calculations in RUSSIAN CHEMICAL BULLETIN
  • 1992-01 Nonempirical calculations of the potential-energy fields of the nucleophilic addition of H− and F− to acetylene and methylacetylene molecules in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1989-03 Nonempirical calculations of potential-energy surfaces for nucleophilic addition of H− and F− to an acetylene molecule in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1985-05 Ab initio calculations of potential energy surface for reaction of nucleophilic addition of H− ion to methylacetylene in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1977-05 A program for the solution of the Hartree-Fock-Roothaan equations for systems with open and closed shells by Roothaan's method using the versions with a combined Hamiltonian and with separate Hamiltonians in JOURNAL OF STRUCTURAL CHEMISTRY
  • 1977-03 The molecular model of the valence states of atoms in JOURNAL OF STRUCTURAL CHEMISTRY
  • 1977-03 Calculation of the electronic structures of compounds of the elements of groups II–IV by Roothaan's method in JOURNAL OF STRUCTURAL CHEMISTRY
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