D. Chachkov

发表

Heteroligand complexes of chromium, manganese, and iron with trans-dibenzoporphyrazine and two oxo ligands: DFT calculations

O. Mikhailov, D. Chachkov, 2022, Russian Chemical Bulletin.

Models of Molecular Structures of Hexa-Nuclear AlnFem Metal Clusters (n + m = 6): DFT Quantum-Chemical Design

O. Mikhailov, D. Chachkov, 2021, Materials.

Thematic course: Structure and Mechanism of Monomolecular Decomposition of C-, N-, O-Nitrocompounds. Part IV. THE ROLE OF NITRO-NITRITE REARRANGEMENTS IN THE MECHANISM OF MONOMOLECULAR DECOMPOSITION OF ALIPHATIC NITROCOMPOUNDS.

A. Shamov, E. Nikolaeva, D. Chachkov, 2001 .

Computational Study of Main Mechanisms for Gas-Phase Decomposition of 1,1- and 1,2-Dinitroethane

A. Shamov, R. Tsyshevsky, D. Chachkov, 2010 .

Structure of alkyl 2,3-dibromo-3-nitroacrylates in solution

V. Berestovitskaya, S. Makarenko, D. Chachkov, 2010 .

Stabilization of unusual metal oxidation state +4 in the iron, cobalt, nickel, and copper complexes with trans-di[benzo]porphyrazine and two fluoride anions: a DFT quantum chemical analysis

O. Mikhailov, D. Chachkov, 2020, Russian Chemical Bulletin.

Energy of the O–NO2 bond dissociation and the mechanism of the gas-phase monomolecular decomposition of aliphatic alcohol nitroesters

A. Shamov, D. Chachkov, G. M. Khrapkovskii, 2004 .

Transition state structure of the reaction of homolytic dissociation of the C-N bond and competition between dif erent mechanisms of the primary act of gas-phase monomolecular decomposition of nitrobenzene

A. Shamov, E. Nikolaeva, D. Chachkov, 2019, Russian Chemical Bulletin.

Formation enthalpies and bond dissociation enthalpies for C1–C4 mononitroalkanes by composite and DFT/B3LYP methods

A. Shamov, R. Tsyshevsky, D. Chachkov, 2010 .

Enthalpies of formation of mono substituted nitrobenzenes: A quantum chemistry study

A. Shamov, R. Tsyshevsky, D. Chachkov, 2013 .

Study of p-(3-carboxy-1-adamantyl)-calix[4]arene with hydrogen bonds along the upper and lower rim by IR spectroscopy and DFT

V. Furer, V. Kovalenko, I. Vatsouro, 2020, Journal of Molecular Modeling.

Cyclic Six-Atomic Boron-Nitrides: Quantum-Chemical Consideration by Ab Initio CCSD(T) Method

O. Mikhailov, D. Chachkov, 2022, Quantum Reports.

Empirical and ab initio calculations of thermochemical parameters of aminoacids: II. Diaminomonocarboxylic acids, hydroxyamino acids, thioamino acids, and heterocyclic amino(imino) acids

D. Chachkov, V. P. Barabanov, E. Sagadeev, 2009 .

Fourier transform IR spectra and structure of 2-substituted 1-nitro- and 1-bromo-1-nitroethenes

V. Berestovitskaya, D. Chachkov, R. R. Shagidullin, 2007 .

Conformational analysis of 2-substituted 1-nitro-and 1-bromo-1-nitroethenes

A. S. Smirnov, V. Berestovitskaya, S. Makarenko, 2007 .

Effect of the molecular structure on the strength of the C-NO2 bond in a series of monofunctional nitrobenzene derivatives

A. Shamov, D. Chachkov, G. M. Khrapkovskii, 2011 .

Synthesis and conformational analysis of phosphine selenides

S. Malysheva, N. A. Belogorlova, D. Chachkov, 2016, Russian Journal of General Chemistry.

Dipole moments and conformational analysis of tris(2-pyridyl)phosphine and tris(2-pyridyl)phosphine chalcogenides. Experimental and theoretical study

N. Gusarova, S. Malysheva, B. Trofimov, 2014 .

Empirical and ab initio computation of the thermochemical parameters of amino acids: I. Monoamino carbonic acids and monoamino dicarbonic acids and their amides

D. Chachkov, V. P. Barabanov, E. Sagadeev, 2009 .

Novel porphyrazine derivative – 2,3,5,7,8,10,12,13,15,17,18,20-dodecaazaporphin and its complexes with M(II) ions of 3d-elements: DFT quantum-chemical modeling

O. Mikhailov, D. Chachkov, 2022, Journal of Porphyrins and Phthalocyanines.

Heteroligand macrotetracyclic complexes of 3d elements with phthalocyanine and two fluoride anions: molecular structures and thermodynamic parameters, as determined from DFT calculations

O. Mikhailov, D. Chachkov, 2021, Russian Chemical Bulletin.

Stabilization of dioxochromium(VI) in the complex with tetra[benzo]porphyrazine and two oxo ligands: DFT quantum-chemical consideration

O. Mikhailov, D. Chachkov, 2020, European Chemical Bulletin.

DFT study on the relative stability of isomeric macrocyclic metal chelates of divalent 4D-element ions with tetradentate (NSSN)- and (NNNN)- “template” ligands

O. Mikhailov, D. Chachkov, 2020 .

Density Functional Theory Modeling of Molecular Structures of Heteroligand 3d M(IV) Complexes with Porphyrazine and Oxo Anion

O. Mikhailov, D. Chachkov, 2020, Russian Journal of Inorganic Chemistry.

Copper (IV) Stabilization in Macrocyclic Complexes with 3,7,11,15-Tetraazaporphine, Its Di[benzo]- or Tetra[benzo] Derivatives and Oxide Anion: Quantum-Chemical Research

O. Mikhailov, D. Chachkov, 2020, Materials.

DFT Quantum-Chemical Calculations of Molecular Structures for Heteroligand M(III) Complexes of 3d Elements with Porphyrazine and Fluoride Ion

O. Mikhailov, D. Chachkov, 2020, Russian Journal of Inorganic Chemistry.

NOVEL OXIDATION DEGREE – Zn+3 IN THE MACROCYCLIC COMPOUND WITH TRANS-DI[BENZO]PORPHYRAZINE AND FLUORIDE LIGAND: QUANTUM-CHEMICAL CONSIDERATION

O. Mikhailov, D. Chachkov, 2020, European Chemical Bulletin.

Thermodynamics of Al2M3 (M = 3d Element) Metal Clusters in the Frame of DFT Quantum-Chemical Modeling

O. Mikhailov, D. Chachkov, 2020, Russian Journal of Inorganic Chemistry.

M(VI) Oxidation State Stabilization in Iron, Cobalt and Nickel Heteroligand Metal Chelates Containing 3,7,11,15-Tetraazaporphine and Two Axial Oxo Ligands: Quantum-Chemical Simulation

O. Mikhailov, D. Chachkov, 2020, International journal of molecular sciences.

About of Possibility of Existence of Zn(IV) Oxidation State in Heteroligand Complexes with Porphyrazine, trans-Di[benzo]porphyrazine, Phthalocyanine, and Oxo Ligands: Quantum-Chemical Review

O. Mikhailov, D. Chachkov, 2020 .

3d-Unusual Macrotetracyclic Chelates of 3d Elements with a 17-Membered Macrocyclic Ligand and Their Molecular Structures in Terms of DFT Quantum-Chemical Simulation

O. Mikhailov, D. Chachkov, 2020, Russian Journal of Inorganic Chemistry.

Combination of phthalocyanine and fluoride ligand for Zn(III) stabilization: Quantum-chemical consideration

O. Mikhailov, D. Chachkov, 2019, Inorganic Chemistry Communications.

Quantum-chemical calculation of molecular structures of Al2Mn3 and Al2Zn3 clusters by using DFT method

O. Mikhailov, D. Chachkov, 2019, Structural Chemistry.

Structural Changes in Macrocycles of Tetrathio-Substituted 1,8-Dioxa-, 1,8-Dithia-3,6,10,13-Tetraazacyclotetradecane and 1,3,5,8,10,12-Hexaazacyclotetradecane upon the Complexation with 3d M(II) Ions according to Density Functional Theory Calculations

O. Mikhailov, D. Chachkov, 2019, Russian Journal of Inorganic Chemistry.

DFT Quantum Chemical Calculation of the Molecular Structures of the Metal Clusters Al2Cu3 and Al2Ag3

O. Mikhailov, D. Chachkov, 2019, Russian Journal of Inorganic Chemistry.

Molecular Structures of (5454)Macrotetracyclic 3d M(II) Chelates Forming in Ternary Systems M(II)–1,2-Ethandiamine–Trioxosulfidosulfate(VI) Anion According to DFT Data

O. Mikhailov, D. Chachkov, 2018, Russian Journal of Inorganic Chemistry.

Models of Molecular Structures of “Template” (5676)Macrotetracyclic 3d M(II) Chelates with a 16-Membered Macrocyclic Ligand according to Density Functional Theory Data

O. Mikhailov, D. Chachkov, 2018, Russian Journal of Inorganic Chemistry.

DFT calculation of molecular structures of Al2Fe3 and Al2Cu3 heterobinuclear clusters

O. Mikhailov, D. Chachkov, 2018, Structural Chemistry.

Molecular Structures of Tetranuclear (Al, Fe) Metal Clusters

O. Mikhailov, D. Chachkov, 2018, Glass Physics and Chemistry.

Structural Changes in the Macrocycles of Tetrathioand Dithiodioxo-Substituted 1,8-Dioxa-3,6,10,13-tetraazacyclotetradecane Caused by Complexation with 3d M(II) Ions according to Quantum-Chemical DFT Calculation

O. Mikhailov, D. Chachkov, 2018, Russian Journal of Inorganic Chemistry.

Models of Molecular Structures of Al2Cr3 and Al2Mo3 Metal Clusters according to Density Functional Theory Calculations

O. Mikhailov, D. Chachkov, 2018, Russian Journal of Inorganic Chemistry.

Molecular structures of (454)macrotricyclic chelates in the M(II) ion–thiosulfate anion–ethylenediamine systems according to quantum-chemical DFT calculations

O. Mikhailov, D. Chachkov, 2017, Russian Journal of Inorganic Chemistry.

Quantum Chemical Calculation of Molecular Structures of Al2Fe2 and Al2FeCo Tetranuclear Metalloclusters

O. Mikhailov, D. Chachkov, 2017, Glass Physics and Chemistry.

Molecular structures of (575)macrotricyclic 3d-metal chelates in M(II)–N-methylthiocarbohydrazide–hexanedione-2,5 according to density functional theory calculations

O. Mikhailov, D. Chachkov, 2017, Russian Journal of Inorganic Chemistry.

DFT quantum-chemical calculations of molecular structures for template heteroligand (5757)macrocyclic M(II) chelates of 3d elements with a 16-membered macrocyclic ligand and Br– ions

O. Mikhailov, D. Chachkov, 2017, Russian Journal of Inorganic Chemistry.

Modeling of molecular structures of (464)macrotricyclic chelates in ternary systems M(II) ion–mercaptomethanethioamide–formaldehyde

O. Mikhailov, D. Chachkov, 2017, Russian Journal of Inorganic Chemistry.

Molecular structure of hexatomic heteronuclear (AlFe) metal clusters as determined by the DFT quantum-chemical calculation

O. Mikhailov, D. Chachkov, 2017, Russian Journal of General Chemistry.

Molecular structures of macrotricyclic 4d M(II) chelates with the (NNNN)-donor ligand 2,7-dithio-3,6-diazaoctadiene-3,5-dithioamide-1,8 according to quantum-chemical density functional theory calculations

O. Mikhailov, D. Chachkov, 2017, Russian Journal of Inorganic Chemistry.

Models of molecular structures of aluminum–iron clusters AlFe3, Al2Fe3, and Al2Fe4 according to quantum-chemical DFT calculations

O. Mikhailov, D. Chachkov, 2017, Russian Journal of Inorganic Chemistry.

Models of molecular structure of heteronuclear clusters Al2Fe3, Al2Co3, and Al2Ni3 according to the data of quantum-chemical density functional simulation

O. Mikhailov, D. Chachkov, 2016, Russian Journal of General Chemistry.

Models of molecular structures of macrocyclic metal chelates in the ternary 4d M(II) ion–ethanedithioamide–ethanedial systems according to quantum-chemical DFT calculations

O. Mikhailov, D. Chachkov, 2016, Russian Journal of Inorganic Chemistry.

DFT analysis of molecular structure of 14-membered tetraaza-, dioxotetraaza-, and hexaazamacroheterocyclic ligands and their metal complexes

O. Mikhailov, D. Chachkov, 2016, Russian Journal of General Chemistry.

Molecular structures of (5656)macrotetracyclic chelates in M(II) ion–ethanedithioamide–methanimine–hydrogen cyanide quaternary systems by DFT calculations

O. Mikhailov, D. Chachkov, 2016, Russian Journal of Inorganic Chemistry.

Quantum-chemical modeling of the molecular structures of (555)macrotricyclic chelates in M(II) ion–thiooxamide–glyoxal ternary systems (M = Mn, Fe, Co, Ni, Cu, Zn)

O. Mikhailov, D. Chachkov, 2016, Russian Journal of Inorganic Chemistry.

Molecular structures of (5656)macrotetracyclic chelates formed in the M(II) ion–ethanedithioamide–2-thiapropanediol-1,3 systems according to density functional theory calculations

O. Mikhailov, D. Chachkov, 2015, Russian Journal of Inorganic Chemistry.

On the possibility of template synthesis through “cross-linkage” of chelate rings with trans-arranged donor atoms in M(II)–ethandithioamide–formaldehyde systems

O. Mikhailov, D. Chachkov, 2015, Russian Journal of Inorganic Chemistry.

Molecular structures of (5656)macrotetracyclic 3d metal chelates formed in the M(II) ion–ethanedithioamide–formaldehyde systems according to the density functional theory method

O. Mikhailov, D. Chachkov, 2015, Russian Journal of Inorganic Chemistry.

Quantum-chemical modeling of template synthesis in the ternary system metal(II) ion-thiosemicarbazide-diacetyl

O. Mikhailov, D. Chachkov, 2015, Russian Journal of Inorganic Chemistry.

Molecular structures of asymmetric (565)macrotricyclic chelates formed in 3d metal ion-ethanedithioamide-hydrazinomethanethioamide-propanone quaternary systems

O. Mikhailov, D. Chachkov, 2015, Russian Journal of Inorganic Chemistry.

Possibility of template synthesis with junction of metallacycles containing trans-located nitrogen atoms in the 3d metal(II) ion-dithiooxamide-acetone systems as predicted by DFT simulation data

O. Mikhailov, D. Chachkov, 2015, Russian Journal of General Chemistry.

Molecular structures of asymmetric (555)macrotricyclic chelates formed in 3d metal ion-ethanedithioamide-hydrazinomethanethioamide-2,3-butanedione quaternary systems

O. Mikhailov, D. Chachkov, 2015, Russian Journal of Inorganic Chemistry.

Molecular structures and stability of isomeric asymmetric (565)macrotricyclic chelates of 3d metals in the M(II)-dithiooxamide-thiosemicarbazide-formaldehyde systems according to DFT calculations

O. Mikhailov, D. Chachkov, 2014, Russian Journal of Inorganic Chemistry.

Quantum-chemical simulation of structure of isomeric asymmetric (555)macrotricyclic chelates of 3d elements arising via self-assembly in quaternary systems metal(II)-ethanedithioamide-hydrazinomethanethioamide-ethanedial

O. Mikhailov, D. Chachkov, 2014, Russian Journal of General Chemistry.

(5656)Macrotetracyclic chelates of doubly charged 3d-element ions with 1,4,8,11-tetraazacyclotetradecane-2,3,9,10-tetrathione and their molecular structures according to density functional theory data

O. Mikhailov, D. Chachkov, 2014, Russian Journal of Inorganic Chemistry.

Quantum chemical calculation of the molecular structures of (666)macrotricyclic chelates of 3D elements in the M(II)-propanedithioamide-formaldehyde systems by the density functional theory method

O. Mikhailov, D. Chachkov, 2014, Russian Journal of Inorganic Chemistry.

Mutual stability and molecular structures of asymmetric (555)macrotricyclic 3d-metal chelates formed by self-assembly in M(II) ion-ethanedithioamide-hydrazinomethanethioamide-2-oxopropanal quaternary systems according to density functional theory calculations

O. Mikhailov, D. Chachkov, 2014, Russian Journal of Inorganic Chemistry.

Molecular structures of (5454) macrotetracyclic chelates of 3d M(II) ions with 4,5,9,10-tetramethyl-1,3,6,8-tetraaza-5,8-cyclodecadiene-2,7-diimine according to DFT quantum-chemical calculations

O. Mikhailov, D. Chachkov, 2014, Russian Journal of Inorganic Chemistry.

Structural peculiarities of macrocyclic chelates, products of self-assembly in the M(II) ion-2-amino-2-thioheptanoic acid-guanidine-formaldehyde system, as shown by quantum-chemical simulation

O. Mikhailov, D. Chachkov, 2014, Russian Journal of General Chemistry.

Quantum-chemical calculation of molecular structures of (5656)macrotetracyclic 3d-metal complexes “self-assembled” in quaternary systems M(II) ion-ethanedithioamide-formaldehyde-ammonia by the density functional theory method

O. Mikhailov, D. Chachkov, 2014, Russian Journal of Inorganic Chemistry.

On the molecular structures of (545)macrotricyclic chelates in the M(II) ion-2,3-butanedione-aminomethanamidine ternary systems

O. Mikhailov, D. Chachkov, 2014, Russian Journal of Inorganic Chemistry.

Molecular structures of “template” (5555)macrotetracyclic chelates of 3d M(II) ions with 1,4,7,10-tetraaza-1,3,8-dodecatriene-5,6,11,12-tetrathione according to DFT quantum-chemical calculations

O. Mikhailov, D. Chachkov, 2013, Russian Journal of Inorganic Chemistry.

Structures of metalmacrocyclic compounds arising from “self-assembly” in ion 3d-element–dithiooxamide–2-hydroxysubstituted acetaldehyde ternary systems

O. Mikhailov, D. Chachkov, O. Grigorieva, 2013 .

Molecular structures of (5456)metalmacrocyclic chelates with 7-imino-1-oxa-3,6,8,11-tetraazacyclododecanetetrathione-4,5,9,10 formed at template synthesis according to DFT OPBE/TZVP method data

O. Mikhailov, D. Chachkov, 2013 .

Specifics of the molecular structures of “template” (5456)macrotetracyclic chelates of 3d M(II) Ions with 5,7,9-triimino-1-oxa-3,6,8,11-tetraazacyclododecane-4,10-dithione according to DFT calculations

O. Mikhailov, D. Chachkov, 2013, Russian Journal of Inorganic Chemistry.

Structure of (5656)macrotetracyclic chelates in the ternary systems M(II)-ethanedithioamide-acetone (M = Mn, Fe, Co, Ni, Cu, Zn) according to DFT calculations

O. Mikhailov, D. Chachkov, 2013, Russian Journal of Inorganic Chemistry.

Molecular structures of metalmacrocyclic chelates of 3d-elements formed at template synthesis in the ion M(II)- thiooxamide-guanidine-formaldehyde quaternary systems

O. Mikhailov, D. Chachkov, O. Grigorieva, 2013 .

Polarity and Structure of Silatranes with Planar Fragments

A. P. Timosheva, V. Kataev, D. Chachkov, 2009 .

Quantum-Chemical Design of Molecular Structures of Tetra-, Penta- and Hexanuclear Metal Clusters Containing Aluminum and 3d-Element Atoms

O. Mikhailov, D. Chachkov, 2020, Materials.

MOLECULAR STRUCTURE MODELS OF Al2Ti3 AND Al2V3 CLUSTERS ACCORDING TO DFT QUANTUM-CHEMICAL CALCULATION

O. Mikhailov, D. Chachkov, 2020 .

Theoretical Study of the Tautomeric Reactions of Dinitromethane and Its Radical Cation

A. Shamov, R. Tsyshevsky, D. Chachkov, 2009 .

Comparative stability of isomeric (565)macrotricyclic chelates of 3d-elements formed in the systems M(II)-thiosemicarbazide-formaldehyde according to DFT B3LYP data

O. Mikhailov, D. Chachkov, 2013, Russian Journal of General Chemistry.

Specifics of molecular structures of (565)macrotricyclic 3d-Metal chelates in the ternary systems M(II)-hydrazinecarbothioamide-2,4-Pentanedione according to DFT calculations

O. Mikhailov, D. Chachkov, T. F. Shamsutdinov, 2013, Russian Journal of Inorganic Chemistry.

Calix[4]resorcinols bearing γ-aminoacetal groups on the upper rim. Synthesis and properties

A. Burilov, M. Pudovik, D. Chachkov, 2013, Russian Journal of General Chemistry.

Molecular structure and thermodynamic parameters of (5656)macrotetracyclic chelates in the 3d-element(ii) ion-hydrazinomethanethiohydrazide-2,3-butanedione ternary system according to density functional quantum-chemical calculations

O. Mikhailov, D. Chachkov, 2013, Russian Journal of Inorganic Chemistry.

Molecular structures of (555)macrotricyclic chelates appearing in 3d-element(ii) ion-hydrazinomethanethioamide-ethanedial systems according to density functional theory calculations

O. Mikhailov, D. Chachkov, T. F. Shamsutdinov, 2012, Russian Journal of Inorganic Chemistry.

Quantum-chemical calculation of the molecular structures of 3d metal chelates with ligands self-assembled in the M(II)-hydrazinomethane thiohydrazide-acetone systems

O. Mikhailov, D. Chachkov, 2012, Russian Journal of Inorganic Chemistry.

Geometric parameters of molecular structures of macrotricyclic chelates in MII ion—hydrazinomethane thioamide—butane-2,3-dione ternary systems (M = Co, Ni, Cu) according to the DFT B3LYP quantum chemical calculation

O. Mikhailov, D. Chachkov, 2012, Russian Chemical Bulletin.

Density functional theory calculation of molecular structures of (5656)macrotetracyclic 3d metal complexes with 4,12-Dithiooxo-1,8-dioxa-3,6,10,13-tetraazacyclotetradecanedione-5,11

O. Mikhailov, D. Chachkov, 2012, Russian Journal of Inorganic Chemistry.

Geometric parameters and energies of molecular structures of macrocyclic metal chelates in the ternary 3d M(II) ion-ethanedithioamide-ethanedial systems according to quantum-chemical DFT B3LYP calculations

O. Mikhailov, D. Chachkov, 2012, Russian Journal of Inorganic Chemistry.

Calculation of geometric parameters and energies of macrocyclic metal chelates in the ternary M(II) ion-thiocarbamoylmethanamide-formaldehyde systems

O. Mikhailov, D. Chachkov, 2011 .

Stability of isomerous chelates in M(II)-thiocarbamoylmethanamide-ethandial systems according to the DFT B3LYP method (M = Mn, Fe, Co, Ni, Cu, Zn)

O. Mikhailov, D. Chachkov, 2011 .

Calculation of geometric parameters of macrocyclic metal chelates formed by template synthesis in tertiary systems M(II) ion-ethanedithioamide-formaldehyde-ammonia

O. Mikhailov, D. Chachkov, 2011 .

About of possibilty of using hybrid method DFT B3LYP for calculation of molecular structures of macropolyazacyclic complexes of 3d-elements

O. Mikhailov, D. Chachkov, 2011 .

The relative stability of macrotricyclic metal complexes in M(II)-thiocarbohydrazide-acetone (M = Mn, Fe, Co, Ni, Cu, Zn) ternary systems according to the data of quantum-chemical calculations

O. Mikhailov, D. Chachkov, 2011 .

Self-assembly of supramolecular Ni(II) and Cu(II) metalmacrocyclic compounds with tetraazamacrocyclic ligand into a gelatin-immobilized matrix

O. Mikhailov, D. Chachkov, 2010 .

Structure of the template complex formed in the Co(III)-dithiooxamide-acetone ternary system during complex formation in the KCoFe(CN)6-gelatin immobilized matrices

O. Mikhailov, D. Chachkov, 2010 .

DFT B3LYP calculation of the spatial structure of Co(II), Ni(II), and Cu(II) template complexes formed in ternary systems metal(II) ion-dithiooxamide-formaldehyde

O. Mikhailov, D. Chachkov, 2009 .

Ab Initio quantum chemical calculation of the structures of coordination compounds arising at template synthesis in ion M(II)-hydrozinomethane thiohydrazide-acetone (M = Co, Ni, Cu) systems

O. Mikhailov, D. Chachkov, M. N. Astaf’ev, 2009 .

On the possibility of template synthesis in the ternary system of vanadium(IV)-dithiooxamide-formaldehyde

O. Mikhailov, D. Chachkov, 2009 .

Mild template synthesis in the iron(III)-ethanedithioamide-1,2-formaldehyde triple system on a K[Fe2(CN)6] gelatin-immobilized matrix

O. Mikhailov, D. Chachkov, 2009 .

Quantum-chemical calculation of steric structure of the complexes formed at template synthesis in three-component systems of Co(II) [Ni(II), Cu(II)] ion-bithiooxamide-acetone

O. Mikhailov, D. Chachkov, 2008 .

Vibrational spectra and structure of isopropylbenzene.

A. I. Fishman, A. Noskov, D. Chachkov, 2008, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Twelve-Nitrogen-Atom Cyclic Structure Stabilized by 3d-Element Atoms: Quantum Chemical Modeling

O. Mikhailov, D. Chachkov, 2022, International journal of molecular sciences.

On the possibility of the existence of molecular nitrogen allotropes

O. Mikhailov, D. Chachkov, 2017, Russian Journal of Inorganic Chemistry.

A novel acid-catalyzed rearrangement of 2-substituted-3-(2-nitrophenyl)oxiranes for the synthesis of di- and mono-oxalamides

S. Katsyuba, V. Mamedov, S. Latypov, 2016 .

Polarity and structure of P(X)-modified (X = O, S) arylcarbamoylmethylphosphine oxides and sulfides

O. Artyushin, E. Sharova, D. Chachkov, 2016, Russian Journal of Organic Chemistry.

Quantum-chemical study of the reaction of 2-methylbenzo[d][1,3,2]dioxaphosphinin-4(4H)-one with hexafluoroacetonimine

V. Mironov, D. Chachkov, P. Onys'ko, 2014, Russian Journal of General Chemistry.

Polarity and Structure of Se-Esters of Diselenophosphinic Acids: Experimental and Theoretical Conformational Analysis in Solution

S. Malysheva, D. Chachkov, Ya. A. Vereshchagina, 2019, Russian Journal of General Chemistry.

Alternative mechanisms of thermal decomposition of o-nitrotoluene in the gas phase

A. Shamov, D. Chachkov, G. M. Khrapkovskii, 2018, Russian Chemical Bulletin.

Phosphoryl- and thiophosphoryl-functionalized enamino ketones. Polarity and conformational analysis

D. Chachkov, V. Kozlov, E. Ishmaeva, 2015, Russian Journal of Organic Chemistry.

Modelling of Molecular Structures of Metalmacroheterocyclic Compounds of 3d-Elements with Derivative of 1,6-Dithia-8,9,14,15-tetraazacyclohexadecatetraene-7,9,13,15 and Halide Ions Using DFT Method

O. Mikhailov, D. Chachkov, 2017 .

Self-assembly and quantum chemical design of macrotricyclic and macrotetracyclic 3d-element metal chelates formed in the gelatin-immobilized matrix

O. Mikhailov, D. Chachkov, M. Kazymova,, 2015, Russian Chemical Bulletin.

On template synthesis in the ternary system Ni(II)-thiosemicarbazide-diacetyl

O. Mikhailov, D. Chachkov, M. Kazymova,, 2013, Russian Journal of Inorganic Chemistry.

Quantum-Chemical Calculations of (5.6.5)Macrotricyclic Complexes in Some M II - (N,S)-Ambidentate Ligson - (O)-Ligson Triple Systems

O. Mikhailov, D. Chachkov, 2010 .

Template synthesis into gelatin-immobilized matrix as perspective method of obtaining supramolecular macroheterocyclic compounds

O. Mikhailov, D. Chachkov, M. Kazymova,, 2008 .

Conformational analysis of 1-sila-4-phospha-2,5-cyclohexadienes

M. Voronkov, D. Chachkov, E. Ishmaeva, 2011 .

Conformational Analysis of N-Alkyl-N-[2-(diphenylphosphoryl)ethyl]amides of Diphenylphosphorylacetic Acid: Dipole Moments, IR Spectroscopy, DFT Study

O. Artyushin, N. Bondarenko, D. Chachkov, 2021, Molecules.

Conformational analysis of 2-aminophenyl-, 2-aminobenzyl-, and 2-nitrobenzyl(diphenyl)phosphine oxides

A. Klimovitskii, O. Artyushin, E. Sharova, 2014, Russian Journal of Organic Chemistry.

Polarity and Conformational Analysis of Tri(1-naphthyl)phosphine, Tri(2-naphthyl)phosphine, and Their Chalcogenides

S. Malysheva, V. Kuimov, D. Chachkov, 2021, Russian Journal of Organic Chemistry.

Experimental and DFT investigation of structure and IR spectra of H-bonded associates of p-(3-carboxy-1-adamantyl)thiacalix[4]arene

V. Furer, V. Kovalenko, I. Vatsouro, 2021, Journal of Molecular Modeling.

Investigation of H-bonding of p-(3-carboxymethyl-1-adamantyl)calix[6]arene by IR spectroscopy

V. Furer, I. Vatsouro, D. Chachkov, 2022, Journal of Molecular Structure.

Study of p-(3-carboxymethyl-1-adamantyl)calix[4]arene and tetrapropoxy-p-(3-carboxymethyl-1-adamantyl)calix[4]arene by vibrational spectroscopy and DFT.

V. Furer, I. Vatsouro, D. Chachkov, 2021 .

Mechanism of the Reactions of (2,2-Dimethyl-1-((Trimethylsilyl)Oxy)Propylidene)-(Trimethylsilyl)Phosphine with Nucleophilic and Electrophilic Reagents

D. Chachkov, E. Ishmaeva, Ya. A. Vereshchagina, 2015 .

Mechanism of the reaction of 3,3-dimethyl-1-trimethylsilyl-2-trimethylsiloxy-1-phosphabut-1-ene with chlorobis(o-phenylenedioxy)phosphorane

D. Chachkov, Ya. A. Vereshchagina, A. Z. Alimova, 2014, Russian Journal of Organic Chemistry.

Experimental and Theoretical Conformational Analysis of Tris(4-methylphenyl)phosphine and Its Chalcogenides

S. Malysheva, N. A. Belogorlova, D. Chachkov, 2020, Russian Journal of Organic Chemistry.

Mechanism of the reaction of 3,3-dimethyl-2-trimethylsiloxy-1-trimethylsilyl-1-phosphabut-1-ene with diethyl phosphite

D. Chachkov, V. Galkin, Ya. A. Vereshchagina, 2012, Russian Journal of General Chemistry.

Geometry and vibrational frequencies of the helical polypeptide complexes with ligand molecules

E. Ermakova, D. Chachkov, O. Makshakova, 2011 .

DFT Quantum-Chemical Modeling Molecular Structures of Cobalt Macrocyclic Complexes with Porphyrazine or Its Benzo-Derivatives and Two Oxygen Acido Ligands

O. Mikhailov, D. Chachkov, 2020, International journal of molecular sciences.

Conformational analysis of mono-and bis(dimethoxyphosphoryl)benzenes

S. Katsyuba, S. Tverdomed, D. Chachkov, 2006 .

Polarity and structure of α-nitrocinnamic acid esters

V. Berestovitskaya, D. Chachkov, E. Ishmaeva, 2013, Russian Journal of General Chemistry.

Mechanism of Reactions of 1-Substituted Silatranes and Germatranes, 2,2-Disubstituted Silocanes and Germocanes, 1,1,1-Trisubstituted Hyposilatranes and Hypogermatranes with Alcohols (Methanol, Ethanol): DFT Study

D. Chachkov, Ya. A. Vereshchagina, R. Ismagilova, 2020, Molecules.

Novel modifications of elemental nitrogen and their molecular structures – a quantumchemical calculation

O. Mikhailov, D. Chachkov, 2020 .

Theoretical conformational analysis of substituted nitroethenes in solution

V. Berestovitskaya, D. Chachkov, Ya. A. Vereshchagina, 2008 .

3-Aryl(hetaryl)-3-hydroxy-2-phosphorus-substituted acrylonitriles. Synthesis and experimental and theoretical conformational analysis

I. Odinets, D. Chachkov, Ya. A. Vereshchagina, 2003 .

3-Aryl(hetaryl)-3-hydroxy-2-phosphorus-substituted Acrylonitriles. Synthesis and Experimental and Theoretical Conformational Analysis.

O. Artyushin, I. Odinets, D. Chachkov, 2003 .

Study of the structure of 1-nitro-3,3,3-trifluoro- and 1-nitro-3,3,3-tribromopropenes by the methods of dipole moments and quantum chemistry

V. Berestovitskaya, D. Chachkov, Ya. A. Vereshchagina, 2014, Russian journal of organic chemistry.

Conformational analysis of 2-substituted nitroethenes

D. Chachkov, E. Ishmaeva, Ya. A. Vereshchagina, 2011 .

Effect of molecular structure of nitroalkanes on the C-NO2 bond strength and activation energy of the gas-phase radical decomposition according to the quantum-chemical simulation

D. Chachkov, G. M. Khrapkovskii, D. L. Egorov, 2015, Russian Journal of General Chemistry.

N,N-dimethyldodecylamine oxide self-organization in the presence of lanthanide ions in aqueous and aqueous-decanol solutions.

O. Gnezdilov, Y. Galyametdinov, D. Chachkov, 2013, The journal of physical chemistry. B.

Effect of halogen substituents on C–N bond strength in nitromethane

A. Shamov, R. Tsyshevsky, D. Chachkov, 2012 .

Quantum-Chemical Prediction of Molecular and Electronic Structure of Carbon-Nitrogen Chemical Compound with Unusual Ratio Atoms: C(N20)

O. Mikhailov, D. Chachkov, 2023, International journal of molecular sciences.

A new chemical compound with an unusual ratio of number of carbon and nitrogen atoms – C(N12): quantum-chemical modelling

O. Mikhailov, D. Chachkov, 2021, RSC advances.

Estimations of activation and enthalpies of reaction for HONO elimination from C2–C4 mononitroalkanes: A theoretical study

A. Shamov, R. Tsyshevsky, D. Chachkov, 2011 .

Effect of Nozzle Shape on Amplitude of Well Acoustic Emitter Generation

D. Chachkov, A. Abdrashitov, E. Marfin, 2018, Acoustical Physics.

DFT B3LYP Quantum-Chemical Calculation of Molecular Structures of (6.6.6)Macrotricyclic M II Complexes with (N,N,N,N)-Coordinating Ligand Formed in the M II -Hydrazinomethanethiohydrazide- Propanone Triple Systems

O. Mikhailov, D. Chachkov, 2010 .

FTIR spectroscopic investigations of internal rotation of nitrosubstituted 1,2-diphenylethanes

A. B. Remizov, D. I. Kamalova, D. V. Chachkov, 2006, Photon Echo and Coherent Spectroscopy.

Radical character of non-IPR isomer 17418 (C1) of fullerene C76

D. Chachkov, A. Khamatgalimov, V. Kovalenko, 2021 .

Thematic Exordium for Special Issue “Density Functional Theory Application on Chemical Calculation”

O. Mikhailov, D. Chachkov, 2023, Materials.

Molecular structures and thermodynamics of stable N4, N6 and N8 neutral poly-nitrogens according to data of QCISD(T)/TZVP method

O. Mikhailov, D. Chachkov, 2020 .

A quantum chemical study of the mechanism of thermal decomposition of N′-methoxy-N-methyldiazene N-oxide

A. Shamov, D. Chachkov, I. V. Aristov, 2022, Russian Chemical Bulletin.

Cubic Octa-Carbon: Quantum-Chemical Design of Molecular Structure and Potential Way of Its Synthesis from Cubane

O. Mikhailov, D. Chachkov, 2021, International journal of molecular sciences.

Synthesis of hybrid compounds by benzylation of acylhydrazones with 3,5-di-tert-butyl-4-hydroxybenzyl acetate

A. Burilov, I. Litvinov, D. Chachkov, 2021, Russian Chemical Bulletin.

The decay mechanism of 1,1,2,2-tetranitroxyethane according to theoretical calculations

A. Shamov, E. Nikolaeva, D. Chachkov, 2020, Journal of Physics: Conference Series.

Energy barriers to gas-phase unimolecular decomposition of trinitrotoluenes

A. Shamov, D. Chachkov, G. M. Khrapkovskii, 2017, Russian Journal of Organic Chemistry.

Experimental and theoretical conformation analysis of eight-membered silocines with planar fragments

A. P. Timosheva, D. Chachkov, Ya. A. Vereshchagina, 2010 .

Polarity and structure of eight-membered organosilicon compounds with planar fragments

A. P. Timosheva, D. Chachkov, A. Gazizova, 2009 .

The influence of molecular structure on the change of the arrhenius factor of gas-phase elimination of nitric acid from nitroalkanes

A. Shamov, D. Chachkov, G. M. Khrapkovskii, 2007 .

Mechanisms of gas phase decomposition of C-nitro compounds from quantum chemical data

A. Shamov, E. Nikolaeva, D. Chachkov, 2009 .