يعرض 1 - 20 نتائج من 214 نتيجة بحث عن '"Denis V. Chachkov"', وقت الاستعلام: 0.52s تنقيح النتائج
  1. 1
    Academic Journal
    Molecular Structure of M(N13) Compounds with 12-Membered Nitrogen-Containing Cycle and Axial Nitrogen Atom (M = Mn, Fe): Quantum-Chemical Design by DFT Method

    المؤلفون: Oleg V. Mikhailov, Denis V. Chachkov

    المصدر: Quantum Reports, Vol 5, Iss 1, Pp 282-293 (2023)

    مصطلحات موضوعية: M(N13), manganese, iron, molecular structure, DFT method, Physics, QC1-999

    وصف الملف: electronic resource

    Relation: https://www.mdpi.com/2624-960X/5/1/19; https://doaj.org/toc/2624-960X

    URL الوصول: https://doaj.org/article/9734c12b075540c1903920e5e38df8b1

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  2. 2
    Academic Journal
    Cyclic Six-Atomic Boron-Nitrides: Quantum-Chemical Consideration by Ab Initio CCSD(T) Method

    المؤلفون: Denis V. Chachkov, Oleg V. Mikhailov

    المصدر: Quantum Reports, Vol 4, Iss 3, Pp 351-361 (2022)

    مصطلحات موضوعية: B3N3, molecular structure, thermodynamic parameters, quantum-chemical calculation, CCSD(T) method, G4, Physics, QC1-999

    وصف الملف: electronic resource

    Relation: https://www.mdpi.com/2624-960X/4/3/25; https://doaj.org/toc/2624-960X

    URL الوصول: https://doaj.org/article/95d40e88409e445cbc27aafceb21ab83

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  3. 3
    Academic Journal
    Structure of Tris[2-(4-pyridyl)ethyl]phosphine, Tris[2-(2-pyridyl)ethyl]phosphine, and Their Chalcogenides in Solution: Dipole Moments, IR Spectroscopy, and DFT Study

    المؤلفون: Anastasiia A. Kuznetsova, Denis V. Chachkov, Natalia A. Belogorlova, Svetlana F. Malysheva, Yana A. Vereshchagina

    المصدر: Molecules, Vol 29, Iss 1, p 110 (2023)

    مصطلحات موضوعية: pyridylethylphosphine, phosphine chalcogenides, structure, dipole moments, conformational analysis, IR spectroscopy, Organic chemistry, QD241-441

    وصف الملف: electronic resource

    Relation: https://www.mdpi.com/1420-3049/29/1/110; https://doaj.org/toc/1420-3049

    URL الوصول: https://doaj.org/article/abd9e30d91cd40d78bbe23d9b281470f

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  4. 4
    Academic Journal
    Molecular and Electronic Structures of Macrocyclic Compounds Formed at Template Synthesis in the M(II)—Thiocarbohydrazide—Diacetyl Triple Systems: A Quantum-Chemical Analysis by DFT Methods

    المؤلفون: Oleg V. Mikhailov, Denis V. Chachkov

    المصدر: Molecules, Vol 28, Iss 11, p 4383 (2023)

    مصطلحات موضوعية: template synthesis, Ni(II), Cu(II), Zn(II), thiocarbohydrazide, diacetyl, Organic chemistry, QD241-441

    وصف الملف: electronic resource

    Relation: https://www.mdpi.com/1420-3049/28/11/4383; https://doaj.org/toc/1420-3049

    URL الوصول: https://doaj.org/article/3235647469f94885968e264e2d9a40df

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  5. 5
    Academic Journal
    First Examples of s -Metal Complexes with Subporphyrazine and Its Phenylene-Annulated Derivatives: DFT Calculations

    المؤلفون: Denis V. Chachkov, Oleg V. Mikhailov, Georgiy V. Girichev

    المصدر: International Journal of Molecular Sciences, Vol 25, Iss 13, p 6897 (2024)

    مصطلحات موضوعية: beryllium, subporphyrazine, [benzo]subporphyrazine, subphthalocyanine, macrocyclic complex, DFT method, Biology (General), QH301-705.5, Chemistry, QD1-999

    Relation: https://www.mdpi.com/1422-0067/25/13/6897; https://doaj.org/toc/1661-6596; https://doaj.org/toc/1422-0067; https://doaj.org/article/78e15bd71a25465a89fa22403288c214

    الاتاحة: https://doi.org/10.3390/ijms25136897
    https://doaj.org/article/78e15bd71a25465a89fa22403288c214

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  6. 6
    Academic Journal
    Thematic Exordium for Special Issue “Density Functional Theory Application on Chemical Calculation”

    المؤلفون: Denis V. Chachkov, Oleg V. Mikhailov

    المصدر: Materials; Volume 16; Issue 7; Pages: 2904

    مصطلحات موضوعية: n/a

    وصف الملف: application/pdf

    Relation: Materials Chemistry; https://dx.doi.org/10.3390/ma16072904

    الاتاحة: https://doi.org/10.3390/ma16072904

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  7. 7
    Academic Journal
    Heteroligand Iron(V) Complexes Containing Porphyrazine, trans-Di[benzo]porphyrazine or Tetra[benzo]porphyrazine, Oxo and Fluoro Ligands: DFT Quantum-Chemical Study

    المؤلفون: Denis V. Chachkov, Oleg V. Mikhailov

    المصدر: International Journal of Molecular Sciences; Volume 24; Issue 7; Pages: 6442

    مصطلحات موضوعية: iron, heteroligand complex, oxo ligand, fluoro ligand, porphyrazine, trans -di[benzo]porphyrazine, tetra[benzo]-porphyrazine, phthalocyanine, DFT

    جغرافية الموضوع: agris

    وصف الملف: application/pdf

    Relation: Physical Chemistry and Chemical Physics; https://dx.doi.org/10.3390/ijms24076442

    الاتاحة: https://doi.org/10.3390/ijms24076442

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  8. 8
    Academic Journal
    DFT Method Used for Prediction of Molecular and Electronic Structures of Mn(VI) Macrocyclic Complexes with Porhyrazine/Phthalocyanine and Two Oxo Ligands

    المؤلفون: Denis V. Chachkov, Oleg V. Mikhailov

    المصدر: Materials; Volume 16; Issue 6; Pages: 2394

    مصطلحات موضوعية: porphyrazine, phthalocyanine, oxo ligand, heteroligand manganese complex, DFT method

    وصف الملف: application/pdf

    Relation: Materials Chemistry; https://dx.doi.org/10.3390/ma16062394

    الاتاحة: https://doi.org/10.3390/ma16062394

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  9. 9
    Academic Journal
    Quantum-Chemical Prediction of Molecular and Electronic Structure of Carbon-Nitrogen Chemical Compound with Unusual Ratio Atoms: C(N20)

    المؤلفون: Oleg V. Mikhailov, Denis V. Chachkov

    المصدر: International Journal of Molecular Sciences; Volume 24; Issue 6; Pages: 5172

    مصطلحات موضوعية: carbon-nitrogen compound, C(N 20 ), molecular structure, quantum-chemical calculation method

    جغرافية الموضوع: agris

    وصف الملف: application/pdf

    Relation: Physical Chemistry and Chemical Physics; https://dx.doi.org/10.3390/ijms24065172

    الاتاحة: https://doi.org/10.3390/ijms24065172

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  10. 10
    Academic Journal
    Twelve-Nitrogen-Atom Cyclic Structure Stabilized by 3d-Element Atoms: Quantum Chemical Modeling

    المؤلفون: Oleg V. Mikhailov, Denis V. Chachkov

    المصدر: International Journal of Molecular Sciences; Volume 23; Issue 12; Pages: 6560

    مصطلحات موضوعية: 3 d -element-nitrogen compound, M(N 12 ), molecular structure, DFT quantum chemical calculation method

    جغرافية الموضوع: agris

    وصف الملف: application/pdf

    Relation: Physical Chemistry and Chemical Physics; https://dx.doi.org/10.3390/ijms23126560

    الاتاحة: https://doi.org/10.3390/ijms23126560

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  11. 11
    Academic Journal
    Quantum-Chemical Consideration of Al2M2 Tetranuclear Metal Clusters (M–3d-Element): Molecular/Electronic Structures and Thermodynamics

    المؤلفون: Oleg V. Mikhailov, Denis V. Chachkov

    المصدر: Materials; Volume 14; Issue 22; Pages: 6836

    مصطلحات موضوعية: metal cluster, aluminum, scandium, titanium, vanadium, chromium, manganese, iron, cobalt, nickel, copper, zinc, molecular structure, thermodynamic parameters, DFT method

    وصف الملف: application/pdf

    Relation: Metals and Alloys; https://dx.doi.org/10.3390/ma14226836

    الاتاحة: https://doi.org/10.3390/ma14226836

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  12. 12
    Academic Journal
    Cubic Octa-Carbon: Quantum-Chemical Design of Molecular Structure and Potential Way of Its Synthesis from Cubane

    المؤلفون: Denis V. Chachkov, Oleg V. Mikhailov

    المصدر: International Journal of Molecular Sciences; Volume 22; Issue 21; Pages: 12067

    مصطلحات موضوعية: octa-carbon, cubane, CCSD method, DFT method

    جغرافية الموضوع: agris

    وصف الملف: application/pdf

    Relation: Physical Chemistry and Chemical Physics; https://dx.doi.org/10.3390/ijms222112067

    الاتاحة: https://doi.org/10.3390/ijms222112067

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  13. 13
    Academic Journal
    Models of Molecular Structures of Hexa-Nuclear AlnFem Metal Clusters (n + m = 6): DFT Quantum-Chemical Design

    المؤلفون: Oleg V. Mikhailov, Denis V. Chachkov

    المصدر: Materials; Volume 14; Issue 3; Pages: 597

    مصطلحات موضوعية: metal cluster, aluminum, iron, molecular structure, DFT method

    وصف الملف: application/pdf

    Relation: Materials Physics; https://dx.doi.org/10.3390/ma14030597

    الاتاحة: https://doi.org/10.3390/ma14030597

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  14. 14
    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

    المؤلفون: Oleg V. Mikhailov, Denis V. Chachkov

    المصدر: Journal of Porphyrins and Phthalocyanines. 26:672-682

    مصطلحات موضوعية: General Chemistry

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::2fd249ddbeb961ea97378d00229c851a
    https://doi.org/10.1142/s1088424622500547

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  15. 15
    Academic Journal
    DFT Quantum-Chemical Modeling Molecular Structures of Cobalt Macrocyclic Complexes with Porphyrazine or Its Benzo-Derivatives and Two Oxygen Acido Ligands

    المؤلفون: Oleg V. Mikhailov, Denis V. Chachkov

    المصدر: International Journal of Molecular Sciences; Volume 21; Issue 23; Pages: 9085

    مصطلحات موضوعية: oxidation state VI, cobalt, macrocyclic chelate, oxo ligand, porphyrazine, benzo-derivative, DFT method

    جغرافية الموضوع: agris

    وصف الملف: application/pdf

    Relation: Physical Chemistry and Chemical Physics; https://dx.doi.org/10.3390/ijms21239085

    الاتاحة: https://doi.org/10.3390/ijms21239085

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  16. 16
    Academic Journal
    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

    المؤلفون: Oleg V. Mikhailov, Denis V. Chachkov

    المصدر: Materials; Volume 13; Issue 14; Pages: 3162

    مصطلحات موضوعية: copper( IV ), oxide anion, 3,7,11,15-tetraazaporphine, benzo-derivatives, DFT method

    وصف الملف: application/pdf

    Relation: Materials Chemistry; https://dx.doi.org/10.3390/ma13143162

    الاتاحة: https://doi.org/10.3390/ma13143162

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  17. 17
    Academic Journal
    Quantum-Chemical Design of Molecular Structures of Tetra-, Penta- and Hexanuclear Metal Clusters Containing Aluminum and 3d-Element Atoms

    المؤلفون: Oleg V. Mikhailov, Denis V. Chachkov

    المصدر: Materials; Volume 13; Issue 8; Pages: 1852

    مصطلحات موضوعية: metal cluster, aluminum, d -element, molecular structure, thermodynamic parameters, DFT method

    وصف الملف: application/pdf

    Relation: Advanced Materials Characterization; https://dx.doi.org/10.3390/ma13081852

    الاتاحة: https://doi.org/10.3390/ma13081852

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  18. 18
    Academic Journal
    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

    المؤلفون: Oleg V. Mikhailov, Denis V. Chachkov

    المصدر: International Journal of Molecular Sciences, Vol 21, Iss 4, p 1494 (2020)

    مصطلحات موضوعية: iron(vi): cobalt(vi), nickel(vi), oxo ligand, 3,7,11,15-tetraazaporphine, dft method, Biology (General), QH301-705.5, Chemistry, QD1-999

    Relation: https://www.mdpi.com/1422-0067/21/4/1494; https://doaj.org/toc/1422-0067; https://doaj.org/article/2425302195ab40f585bf4c55ff2e463f

    الاتاحة: https://doi.org/10.3390/ijms21041494
    https://doaj.org/article/2425302195ab40f585bf4c55ff2e463f

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  19. 19
    DFT Quantum-chemical prediction of molecular structure of iron(VI) macrocyclic complex with phthalocyanine and two oxo ligands

    المؤلفون: Denis V. Chachkov, Oleg V. Mikhailov

    المصدر: Journal of Porphyrins and Phthalocyanines. 26:367-375

    مصطلحات موضوعية: General Chemistry

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::1ace1ad1b308476c6140f05783ab7b20
    https://doi.org/10.1142/s1088424622500274

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  20. 20
    New heteroligand complex of cobalt with phthalocyanine, oxo and fluoro ligands: DFT consideration

    المؤلفون: Oleg V. Mikhailov, Denis V. Chachkov

    المصدر: Journal of Porphyrins and Phthalocyanines. 26:316-324

    مصطلحات موضوعية: General Chemistry

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::0fd732d441f1945a4ce7ea68dede7fcb
    https://doi.org/10.1142/s1088424622500171

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