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Quantum chemical modeling of new derivatives of (E,E)-azomethines: Synthesis, spectroscopic (FT-IR, UV/Vis, polarization) and thermophysical investigations

Journal of molecular structure, 2017-06, Vol.1137, p.335-348

2017

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Synthesis of 5-azolyl-2,4-dihydro-3H-1,2,4-triazole-3-thiones and 5-azolyl-1,3,4-thiadiazol-2-amines based on derivatives of 5-arylisoxazole-3-carboxylic and 4,5-dichloroisothiazole-3-carboxylic acids

Chemistry of heterocyclic compounds (New York, N.Y. 1965), 2021-05, Vol.57 (5), p.594-598

2021

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Synthesis and Biological Activity of N-acyl Anabasine and Cytisine Derivatives with Adamantane, Pyridine and 1,2-Azole Fragments

Molecules (Basel, Switzerland), 2022-10, Vol.27 (21), p.7387

2022

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Alkaloid-Based Isoxazolylureas: Synthesis and Effect in Combination with Anticancer Drugs on C6 Rat Glioma Model Cells

Molecules (Basel, Switzerland), 2024-07, Vol.29 (14), p.3246

2024

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Mimics of Pincer Ligands: An Accessible Phosphine-Free N‑(Pyrimidin-2-yl)-1,2-azole-3-carboxamide Framework for Binuclear Pd(II) Complexes and High-Turnover Catalysis in Water

Inorganic chemistry, 2020-08, Vol.59 (15), p.10384-10388

2020

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Quinine Esters with 1,2-Azole, Pyridine and Adamantane Fragments

Molecules (Basel, Switzerland), 2022-05, Vol.27 (11), p.3476

2022

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Molecular Investigations of the Newly Synthesized Azomethines as Antioxidants: Theoretical and Experimental Studies

Current molecular medicine, 2019-01, Vol.19 (6), p.419-433

2019

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Optimization, Spectroscopic (Excited States, UV/Vis, Polarization) Studies, FMO, ELF, LOL, QTAIM, NBO Analysis and Electronic Properties of Two New Azomethine Derivatives: A Theoretical and Experimental Investigations

Russian Journal of Physical Chemistry A, 2020-09, Vol.94 (9), p.1848-1865

2020

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New Data on Vanillin-Based Isothiazolic Insecticide Synergists

Natural product communications, 2017-01, Vol.12 (1), p.105-106

2017

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Polarization, excited states, trans-cis properties and anisotropy of thermal and electrical conductivity of the 4-(phenyldiazenyl)aniline in PVA matrix

Journal of molecular structure, 2017-08, Vol.1141, p.703-709

2017

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Efficient synthesis of chalcone-4′-sulfonyl chlorides and fluorides

Tetrahedron letters, 2018-01, Vol.59 (4), p.372-374

2018

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Synthesis, geometry optimization, spectroscopic investigations (UV/Vis, excited states, FT-IR) and application of new azomethine dyes

Journal of molecular structure, 2017-11, Vol.1148, p.134-149

2017

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New derivatives of (E,E)-azomethines: Design, quantum chemical modeling, spectroscopic (FT-IR, UV/Vis, polarization) studies, synthesis and their applications: Experimental and theoretical investigations

Journal of molecular structure, 2018-01, Vol.1152, p.368-385

2018

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Design of geometry, synthesis, spectroscopic (FT-IR, UV/Vis, excited state, polarization) and anisotropy (thermal conductivity and electrical) properties of new synthesized derivatives of (E,E)-azomethines in colored stretched poly (vinyl alcohol) matrix

Journal of molecular structure, 2018-04, Vol.1157, p.536-550

2018

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Interaction between new synthesized derivative of (E,E)-azomethines and BN(6,6-7) nanotube for medical applications: Geometry optimization, molecular structure, spectroscopic (NMR, UV/Vis, excited state), FMO, MEP and HOMO-LUMO investigations

Journal of molecular structure, 2017-10, Vol.1146, p.881-888

2017

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Synthesis and Biological Activity of IN/I-acyl Anabasine and Cytisine Derivatives with Adamantane, Pyridine and 1,2-Azole Fragments

Molecules (Basel, Switzerland), 2022-10, Vol.27 (21)

2022

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Two new dichroic dyes: Quantum chemical modeling, synthesis, optical properties and their application in polarizing films

Journal of molecular structure, 2021-09, Vol.1239, p.130353, Article 130353

2021

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Spectroscopic Studies (Geometry Optimization, E → Z Isomerization, UV/Vis, Excited States, FT-IR, HOMO-LUMO, FMO, MEP, NBO, Polarization) and Anisotropy of Thermal and Electrical Conductivity of New Azomethine Dyes in Stretched Polymer Matrix

SILICON, 2018-09, Vol.10 (5), p.2361-2385

2018

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Anisotropy (optical, electrical and thermal conductivity) in thin polarizing films for UV/Vis regions of spectrum: Experimental and theoretical investigations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2018-03, Vol.192, p.343-360

2018

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DFT Study of the Biological Activity of Fullerenol - Cisplatin Conjugate as an Antitumor Therapy Agent

Journal of Biomedical Research & Environmental Sciences, 2023-02, Vol.4 (2), p.179-183

2023

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Quantum chemical modeling of new derivatives of (E,E)-azomethines: Synthesis, spectroscopic (FT-IR, UV/Vis, polarization) and thermophysical investigations

Synthesis of 5-azolyl-2,4-dihydro-3H-1,2,4-triazole-3-thiones and 5-azolyl-1,3,4-thiadiazol-2-amines based on derivatives of 5-arylisoxazole-3-carboxylic and 4,5-dichloroisothiazole-3-carboxylic acids

Synthesis and Biological Activity of N-acyl Anabasine and Cytisine Derivatives with Adamantane, Pyridine and 1,2-Azole Fragments

Alkaloid-Based Isoxazolylureas: Synthesis and Effect in Combination with Anticancer Drugs on C6 Rat Glioma Model Cells

Mimics of Pincer Ligands: An Accessible Phosphine-Free N‑(Pyrimidin-2-yl)-1,2-azole-3-carboxamide Framework for Binuclear Pd(II) Complexes and High-Turnover Catalysis in Water

Quinine Esters with 1,2-Azole, Pyridine and Adamantane Fragments

Molecular Investigations of the Newly Synthesized Azomethines as Antioxidants: Theoretical and Experimental Studies

Optimization, Spectroscopic (Excited States, UV/Vis, Polarization) Studies, FMO, ELF, LOL, QTAIM, NBO Analysis and Electronic Properties of Two New Azomethine Derivatives: A Theoretical and Experimental Investigations

New Data on Vanillin-Based Isothiazolic Insecticide Synergists

Polarization, excited states, trans-cis properties and anisotropy of thermal and electrical conductivity of the 4-(phenyldiazenyl)aniline in PVA matrix

Efficient synthesis of chalcone-4′-sulfonyl chlorides and fluorides

Synthesis, geometry optimization, spectroscopic investigations (UV/Vis, excited states, FT-IR) and application of new azomethine dyes

New derivatives of (E,E)-azomethines: Design, quantum chemical modeling, spectroscopic (FT-IR, UV/Vis, polarization) studies, synthesis and their applications: Experimental and theoretical investigations

Design of geometry, synthesis, spectroscopic (FT-IR, UV/Vis, excited state, polarization) and anisotropy (thermal conductivity and electrical) properties of new synthesized derivatives of (E,E)-azomethines in colored stretched poly (vinyl alcohol) matrix

Interaction between new synthesized derivative of (E,E)-azomethines and BN(6,6-7) nanotube for medical applications: Geometry optimization, molecular structure, spectroscopic (NMR, UV/Vis, excited state), FMO, MEP and HOMO-LUMO investigations

Synthesis and Biological Activity of IN/I-acyl Anabasine and Cytisine Derivatives with Adamantane, Pyridine and 1,2-Azole Fragments

Two new dichroic dyes: Quantum chemical modeling, synthesis, optical properties and their application in polarizing films

Spectroscopic Studies (Geometry Optimization, E → Z Isomerization, UV/Vis, Excited States, FT-IR, HOMO-LUMO, FMO, MEP, NBO, Polarization) and Anisotropy of Thermal and Electrical Conductivity of New Azomethine Dyes in Stretched Polymer Matrix

Anisotropy (optical, electrical and thermal conductivity) in thin polarizing films for UV/Vis regions of spectrum: Experimental and theoretical investigations

DFT Study of the Biological Activity of Fullerenol - Cisplatin Conjugate as an Antitumor Therapy Agent

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