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  1. Exploring solid-state supramolecular architectures of pyrimidine-based Ag-1D coordination polymers: Experimental observations and theoretical insights

    Article • Journal of Molecular Structure, September 2025, Elsevier

    Dr. Aleksey Kuznetsov

  2. A Quantum-Mechanical Method Reveals the Potential Basis of Antioxidant Activities of Phytomolecules from Jasminum Species: Isolation, Spectral Characterization, DFT, and In Vitro Studies

    Article • Russian Journal of Bioorganic Chemistry, February 2025, Pleiades Publishing Ltd

    Dr. Aleksey Kuznetsov

  3. Synthesis, crystal structure study, characterization, and DFT investigation of a new nickel(II) complex, [dihomopiperazine nickel (II)] sulfate tetrahydrate

    Article • Journal of Molecular Structure, November 2024, Elsevier

    Dr. Aleksey Kuznetsov

  4. Lanthanum nanoparticle decorated carbon nanotubes: Facile method of synthesis and studies of their redox stability, cytotoxicity and corrosion inhibition on the magnesium alloy in 3.5 % NaCl environment

    Article • Diamond and Related Materials, October 2024, Elsevier

    Dr. Aleksey Kuznetsov

  5. Identification of new triazolo annulated dipyridodiazepine derivatives as HIV-1 reverse transcriptase inhibitors: Design, synthesis, DFT, molecular modelling and in silico studies

    Article • Journal of Molecular Structure, October 2024, Elsevier

    Dr. Aleksey Kuznetsov

  6. Physicochemical properties, pharmacokinetic studies, DFT approach, and antioxidant activity of nitro and chloro indolinone derivatives

    Article • Frontiers in Chemistry, March 2024, Frontiers

    Dr. Aleksey Kuznetsov

  7. Unraveling the abnormal NMR spectra of oxaline and its spiroaminal congeners fungal alkaloids: The spatial effect of quadrupolar nitrogen nuclei

    Article • Journal of Molecular Structure, March 2024, Elsevier

    Dr. Aleksey Kuznetsov

  8. Experimental and theoretical studies of a novel europium decorated carbon nanotube material: investigation of cytotoxicity, electrocatalytic properties, and corrosion inhibition behaviour on Mg AZ31 alloy in 3.5% NaCl environment

    Article • New Journal of Chemistry, January 2024, Royal Society of Chemistry

    Dr. Aleksey Kuznetsov

  9. Samarium functionalized few-layer nano graphene oxide redox behavior, cytotoxicity and corrosion inhibition on Mg AZ31 alloy in 3.5% NaCl environment

    Article • Journal of Molecular Structure, December 2023, Elsevier

    Dr. Aleksey Kuznetsov

  10. Assessing cytotoxic activities, theoretical and in silico molecular docking calculations of phthalocyanines bearing cinnamyloxy-groups

    Article • Journal of Biomolecular Structure and Dynamics, October 2023, Taylor & Francis

    Dr. Aleksey Kuznetsov

  11. Novel Fluorinated Biphenyl Compounds Synthesized via Pd(0)-Catalyzed Reactions: Experimental and Computational Studies

    Article • ACS Omega, August 2023, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  12. Synthesis, In-Silico, In Vitro and DFT Assessments of Substituted Imidazopyridine Derivatives as Potential Antimalarials Targeting Hemoglobin Degradation Pathway

    Article • Journal of Computational Biophysics and Chemistry, July 2023, World Scientific Pub Co Pte Lt

    Dr. Aleksey Kuznetsov

  13. Theoretical and Anti-Klebsiella pneumoniae Evaluations of Substituted 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide and Imidazopyridine Hydrazide Derivatives

    Article • Molecules, March 2023, MDPI AG

    Dr. Aleksey Kuznetsov

  14. Computational design of the novel building blocks for the metal-organic frameworks based on the organic ligand protected Cu4 cluster

    Article • Physical Sciences Reviews, March 2023, De Gruyter

    Dr. Aleksey Kuznetsov

  15. Using conceptual DFT for studies of metal complexes: some interesting examples

    Article • January 2023, Elsevier

    Dr. Aleksey Kuznetsov

  16. Experimental and DFT studies of selenium decorated graphene oxide: Redox stability, cytotoxicity, and corrosion inhibition of AZ13 Mg alloy

    Article • Materials Chemistry and Physics, December 2022, Elsevier

    Dr. Aleksey Kuznetsov

  17. 3. Core-modified porphyrins: novel building blocks in chemistry

    Article • October 2021, De Gruyter

    Dr. Aleksey Kuznetsov

  18. Introductory Chapter: Azoles, Their Importance, and Applications

    Article • June 2021, IntechOpen

    Dr. Aleksey Kuznetsov

  19. 8 Review of research of nanocomposites based on graphene quantum dots

    Article • June 2021, De Gruyter

    Dr. Aleksey Kuznetsov

  20. Facile synthesis of Tb-decorated graphene oxide: electrochemical stability, hydrogen storage, and corrosion inhibition of Mg AZ13 alloy in 3.5% NaCl medium

    Article • RSC Advances, January 2021, Royal Society of Chemistry

    Professor Dr SIVAKUMAR MANICKAM, Dr. Aleksey Kuznetsov

  21. Experimental and DFT studies of gadolinium decorated graphene oxide materials for their redox properties and as a corrosion inhibition barrier layer on Mg AZ13 alloy in a 3.5% NaCl environment

    Article • RSC Advances, January 2021, Royal Society of Chemistry

    Dr. Aleksey Kuznetsov, Professor Dr SIVAKUMAR MANICKAM

  22. Experimental and computational studies of graphene oxide covalently functionalized by octylamine: electrochemical stability, hydrogen evolution, and corrosion inhibition of the AZ13 Mg alloy in 3.5% NaCl

    Article • RSC Advances, January 2020, Royal Society of Chemistry

    Dr. Aleksey Kuznetsov

  23. Experimental and DFT studies of porous carbon covalently functionalized by polyaniline as a corrosion inhibition barrier on nickel-based alloys in acidic media

    Article • RSC Advances, January 2020, Royal Society of Chemistry

    Dr. Aleksey Kuznetsov

  24. Stability of di-butyl-dichalcogenide-capped gold nanoparticles: experimental data and theoretical insights

    Article • RSC Advances, January 2020, Royal Society of Chemistry

    Dr. Aleksey Kuznetsov

  25. Stacks of Metalloporphyrins: Comparison of Experimental and Computational Results

    Article • The Journal of Physical Chemistry B, November 2019, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  26. Phthalocyanines core-modified by P and S and their complexes with fullerene C60: DFT study

    Article • Physical Sciences Reviews, August 2019, De Gruyter

    Dr. Aleksey Kuznetsov

  27. Computational investigations into the structural and electronic properties of CdnTen (n = 1–17) quantum dots

    Article • RSC Advances, January 2019, Royal Society of Chemistry

    Dr. Aleksey Kuznetsov

  28. Experimental and DFT studies of carbon nanotubes covalently functionalized with an imidazole derivative for electrochemical stability and green corrosion inhibition as a barrier layer on the nickel alloy surface in a sulphuric acidic medium

    Article • RSC Advances, January 2019, Royal Society of Chemistry

    Dr. Aleksey Kuznetsov

  29. 9. Complexes between core-modified porphyrins ZnP(X)4 (X = P and S) and small semiconductor nanoparticle Zn6S6: are they possible?

    Article • December 2018, De Gruyter

    Dr. Aleksey Kuznetsov

  30. Complexes between core-modified porphyrins ZnP(X)4 (X = P and S) and small semiconductor nanoparticle Zn6S6: are they possible?

    Article • Physical Sciences Reviews, September 2018, De Gruyter

    Dr. Aleksey Kuznetsov

  31. Three Ligands with Biomedical Importance: Binding to Small ZnS Quantum Dots

    Article • The Journal of Physical Chemistry C, May 2018, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  32. Facile Synthesis and Characterization of Symmetric N-[(Phenylcarbonyl) carbamothioyl]benzamide Thiourea: Experimental and Theoretical Investigations

    Article • Journal of the Brazilian Chemical Society, January 2018, Sociedade Brasileira de Quimica (SBQ)

    Dr. Aleksey Kuznetsov, Prof. Javier Alcides Ellena

  33. Influence of an exciton-delocalizing ligand on the structural, electronic, and spectral features of the Cd33S33 quantum dot: insights from computational studies

    Article • Journal of Materials Chemistry C, January 2018, Royal Society of Chemistry

    Dr. Aleksey Kuznetsov

  34. Can MP(P)4 Compounds Form Complexes with C60?

    Article • Journal of Applied Solution Chemistry and Modeling, November 2017, Lifescience Global

    Dr. Aleksey Kuznetsov, Lifescience Global Inc.

  35. Design of Novel Classes of Building Blocks for Nanotechnology: Core‐Modified Metalloporphyrins and Their Derivatives

    Article • August 2017, IntechOpen

    Dr. Aleksey Kuznetsov

  36. Phytotoxicity, structural and computational analysis of 2-methyl-1,5-diarylpentadienones

    Article • Journal of Molecular Structure, August 2017, Elsevier

    Dr. Aleksey Kuznetsov

  37. Structural isomerism of Ru(ii)-carbonyl complexes: synthesis, characterization and their antitrypanosomal activities

    Article • New Journal of Chemistry, January 2017, Royal Society of Chemistry

    Prof. Javier Alcides Ellena, Dr. Aleksey Kuznetsov

  38. Computational design of ZnP(P)4 stacks: Three modes of binding

    Article • Journal of Theoretical and Computational Chemistry, August 2016, World Scientific Pub Co Pte Lt

    Dr. Aleksey Kuznetsov

  39. How the change of the ligand from L = porphine, P 2− , to L = P 4 -substituted porphine, P(P) 4 2− , affects the electronic properties and the M–L binding energies for the first-row transition metals M = Sc–Zn: Comparative study

    Article • Chemical Physics, May 2016, Elsevier

    Dr. Aleksey Kuznetsov

  40. Metalloporphyrins with all the pyrrole nitrogens replaced with phosphorus atoms, MP(P) 4 (M = Sc, Ti, Fe, Ni, Cu, Zn)

    Article • Chemical Physics, February 2015, Elsevier

    Dr. Aleksey Kuznetsov

  41. Anti-Mycobacterium tuberculosisand Cytotoxicity Activities of Ruthenium(II)/Bipyridine/Diphosphine/Pyrimidine-2-thiolate Complexes: The Role of the Non-CoordinatedN-Atom

    Article • Journal of the Brazilian Chemical Society, January 2015, Sociedade Brasileira de Quimica (SBQ)

    Prof. Javier Alcides Ellena, Dr. Aleksey Kuznetsov

  42. Structural and Electronic Properties of Bare and Capped Cd33Se33 and Cd33Te33 Quantum Dots

    Article • The Journal of Physical Chemistry C, March 2014, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  43. Distance-Independent Charge Recombination Kinetics in Cytochrome c–Cytochrome c Peroxidase Complexes: Compensating Changes in the Electronic Coupling and Reorganization Energies

    Article • The Journal of Physical Chemistry B, July 2013, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  44. Effects of S-containing ligands on the structure and electronic properties of CdnSen/CdnTen nanoparticles (n=3, 4, 6, and 9)

    Article • Chemical Physics, October 2012, Elsevier

    Dr. Aleksey Kuznetsov

  45. Structural and Electronic Properties of Bare and Capped CdnSen/CdnTen Nanoparticles (n = 6, 9)

    Article • The Journal of Physical Chemistry C, March 2012, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  46. Revealing substituent effects on the electronic structure and planarity of Ni-porphyrins

    Article • Computational and Theoretical Chemistry, February 2012, Elsevier

    Dr. Aleksey Kuznetsov

  47. The role of the heteroatom (X = SiIV, PV, and SVI) on the reactivity of {γ-[(H2O)RuIII(μ-OH)2RuIII(H2O)][X n+W10O36]}(8−n)− with the O2 molecule

    Article • Theoretical Chemistry Accounts, May 2011, Springer Science + Business Media

    Dr. Aleksey Kuznetsov

  48. Polyoxometalates in the Design of Effective and Tunable Water Oxidation Catalysts

    Article • Israel Journal of Chemistry, February 2011, Wiley

    Dr. Aleksey Kuznetsov

  49. Insights into the Mechanism of O2Formation and Release from the Mn4O4L6“Cubane” Cluster

    Article • The Journal of Physical Chemistry A, November 2010, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  50. Aza-β3-amino acid containing peptidomimetics as cAMP-dependent protein kinase substrates

    Article • Bioorganic Chemistry, October 2010, Elsevier

    Dr. Aleksey Kuznetsov

  51. ChemInform Abstract: On the Aromaticity of Square Planar Ga42- and In42- in Gaseous NaGa4- and NaIn4- Clusters.

    Article • ChemInform, May 2010, Wiley

    Dr. Aleksey Kuznetsov

  52. ChemInform Abstract: On the Resonance Energy in New All-Metal Aromatic Molecules

    Article • ChemInform, May 2010, Wiley

    Dr. Aleksey Kuznetsov

  53. A Fast Soluble Carbon-Free Molecular Water Oxidation Catalyst Based on Abundant Metals

    Article • Science, March 2010, American Association for the Advancement of Science

    Dr. Aleksey Kuznetsov

  54. Does the MgO(100)-Support Facilitate the Reaction of Nitrogen and Hydrogen Molecules Catalyzed by Zr2Pd2Clusters? A Computational Study

    Article • Inorganic Chemistry, March 2010, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  55. Computational Studies of the Geometry and Electronic Structure of an All-Inorganic and Homogeneous Tetra-Ru-Polyoxotungstate Catalyst for Water Oxidation and Its Four Subsequent One-Electron Oxidized Forms

    Article • The Journal of Physical Chemistry A, January 2010, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  56. ChemInform Abstract: Dioxygen and Water Activation Processes on Multi-Ru-Substituted Polyoxometalates: Comparison with the “Blue-Dimer” Water Oxidation Catalyst

    Article • ChemInform, August 2009, Wiley

    Dr. Aleksey Kuznetsov

  57. Dioxygen and Water Activation Processes on Multi-Ru-Substituted Polyoxometalates: Comparison with the “Blue-Dimer” Water Oxidation Catalyst

    Article • Journal of the American Chemical Society, May 2009, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  58. Mechanism of the Divanadium-Substituted Polyoxotungstate [γ-1,2-H2SiV2W10O40]4−Catalyzed Olefin Epoxidation by H2O2: A Computational Study

    Article • Inorganic Chemistry, March 2009, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  59. Mass-selected Ag3 clusters soft-landed onto MgO/Mo(100): femtosecond photoemission and first-principles simulations

    Article • Zeitschrift für Physik D, September 2007, Springer Science + Business Media

    Dr. Aleksey Kuznetsov

  60. Optical properties of small silver clusters supported at MgO

    Article • Zeitschrift für Physik D, May 2007, Springer Science + Business Media

    Dr. Aleksey Kuznetsov

  61. Multiple Aromaticity and Antiaromaticity in Silicon Clusters

    Article • ChemPhysChem, December 2004, Wiley

    Dr. Aleksey Kuznetsov

  62. A single π-bond captures 3, 4 and 5 atoms

    Article • Chemical Physics Letters, April 2004, Elsevier

    Dr. Aleksey Kuznetsov

  63. All-Metal Antiaromatic Molecule: Rectangular Al4-4 in the Li3Al-4 Anion.

    Article • ChemInform, July 2003, Wiley

    Dr. Aleksey Kuznetsov

  64. All-Metal Antiaromatic Molecule: Rectangular Al44- in the Li3Al4- Anion

    Article • Science, April 2003, American Association for the Advancement of Science

    Dr. Aleksey Kuznetsov

  65. Peculiar Antiaromatic Inorganic Molecules of Tetrapnictogen in Na+Pn4- (Pn = P, As, Sb) and Important Consequences for Hydrocarbons

    Article • Inorganic Chemistry, October 2002, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  66. Al62-− Fusion of Two Aromatic Al3-Units. A Combined Photoelectron Spectroscopy and ab Initio Study of M+[Al62-] (M = Li, Na, K, Cu, and Au)

    Article • Journal of the American Chemical Society, October 2002, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  67. Peculiar Transformation of a Nonaromatic Al4Cl4(NH3)4into an Aromatic Na2Al4Cl4(NH3)4

    Article • Inorganic Chemistry, July 2002, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  68. Probing the Electronic Structure and Aromaticity of Pentapnictogen Cluster Anions Pn5-(Pn = P, As, Sb, and Bi) Using Photoelectron Spectroscopy and ab Initio Calculations

    Article • The Journal of Physical Chemistry A, June 2002, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  69. On the Resonance Energy in New All-Metal Aromatic Molecules

    Article • Inorganic Chemistry, February 2002, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  70. Article • Structural Chemistry, January 2002, Springer Science + Business Media

    Dr. Aleksey Kuznetsov

  71. Aromatic Mercury Clusters in Ancient Amalgams

    Article • Angewandte Chemie, September 2001, Wiley

    Dr. Aleksey Kuznetsov

  72. Aromatic Mercury Clusters in Ancient Amalgams

    Article • Angewandte Chemie, September 2001, Wiley

    Dr. Aleksey Kuznetsov

  73. On the Aromaticity of Square Planar Ga42-and In42-in Gaseous NaGa4-and NaIn4-Clusters

    Article • Journal of the American Chemical Society, September 2001, American Chemical Society (ACS)

    Dr. Aleksey Kuznetsov

  74. Experimental and Theoretical Observations of Aromaticity in Heterocyclic XAl3 (X=Si, Ge, Sn, Pb) Systems

    Article • Angewandte Chemie, May 2001, Wiley

    Dr. Aleksey Kuznetsov

  75. Experimental and Theoretical Observations of Aromaticity in Heterocyclic XAl3− (X=Si, Ge, Sn, Pb) Systems

    Article • Angewandte Chemie, May 2001, Wiley

    Dr. Aleksey Kuznetsov

  76. ChemInform Abstract: Observation of All-Metal Aromatic Molecules.

    Article • ChemInform, May 2001, Wiley

    Dr. Aleksey Kuznetsov

  77. Observation of All-Metal Aromatic Molecules

    Article • Science, February 2001, American Association for the Advancement of Science

    Dr. Aleksey Kuznetsov