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Heat Capacity Estimation Using a Complete Set of Homodesmotic Reactions for Organic Compounds

Molecules (Basel, Switzerland), 2022-11, Vol.27 (22), p.7814

Khursan, Sergey L

2022

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Theoretical determination of the standard enthalpies of formation of alkyl radicals using the concept of a complete set of homodesmotic reactions

Journal of molecular graphics & modelling, 2023-12, Vol.125, p.108615-108615, Article 108615

2023

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Experimental and theoretical substantiation of differences of geometric isomers of copper(II) α-amino acid chelates in ATR-FTIR spectra

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2020-03, Vol.229, p.117950, Article 117950

2020

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Glycyrrhetinic acid derivatives as Zika virus inhibitors: Synthesis and antiviral activity in vitro

Bioorganic & medicinal chemistry, 2021-07, Vol.41, p.116204-116204, Article 116204

2021

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Synthesis of 4-Aminopyrazol-5-ols as Edaravone Analogs and Their Antioxidant Activity

Molecules (Basel, Switzerland), 2022-11, Vol.27 (22), p.7722

2022

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Optical Configuration Effect on the Structure and Reactivity of Diastereomers Revealed by Spin Effects and Molecular Dynamics Calculations

International journal of molecular sciences, 2021-12, Vol.23 (1), p.38

2021

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Selection of influenza virus resistant to the novel camphor-based antiviral camphecene results in loss of pathogenicity

Virology (New York, N.Y.), 2018-11, Vol.524, p.69-77

2018

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New polymers based on thieno[3,2-]pyrrole derivatives and their electrochemical properties

Polymer chemistry, 2023-11, Vol.14 (44), p.4986-4993

2023

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Toward understanding the regioselectivity of the one‐pot reaction of phenylene diamines with aldehydes and cyclopentadiene (Povarov reaction). Combined experimental and theoretical approaches

Journal of heterocyclic chemistry, 2022-11, Vol.59 (11), p.2025-2036

2022

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On the use of the spectral luminescent method for studying acid–base equilibria of uracil derivatives in aqueous solutions

Biophysical chemistry, 2020-11, Vol.266, p.106432-106432, Article 106432

2020

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Ortho-Cyclization in Asymmetrically Substituted Arylnitroso Oxides

Journal of organic chemistry, 2020-08, Vol.85 (16), p.10813-10822

2020

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Experimental study and kinetic modeling of radical-coordination styrene polymerization with participation of ferrocene

Journal of polymer research, 2022-10, Vol.29 (10), Article 429

2022

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The substituent effects on the [3+2] cycloaddition of nitrile oxides generated by photooxidation of arylazides to acetonitrile

Journal of molecular graphics & modelling, 2020-03, Vol.95, p.107491-107491, Article 107491

2020

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The pKa theoretical estimation of C-H, N-H, O-H and S-H acids in dimethylsulfoxide solution

Journal of physical organic chemistry, 2014-12, Vol.27 (12), p.926-934

2014

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Nature of Lewis Base Catalysis of 1,3-Dipolar Cycloaddition of Methyl Diazoacetate to Methyl Acrylate; NMR Kinetic Spectroscopy and DFT Study

The journal of physical chemistry. B, 2017-07, Vol.121 (27), p.6601-6609

2017

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Detection and Structure of HOON: Microwave Spectroscopy Reveals an O-O Bond Exceeding 1.9 Å

Science (American Association for the Advancement of Science), 2013-12, Vol.342 (6164), p.1354-1357

2013

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5-Fluorouracil solutions: NMR study of acid-base equilibrium in water and DMSO

Journal of physical organic chemistry, 2014-11, Vol.27 (11), p.876-883

2014

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Luminescent characterization of interaction efficiency between (−)-cytisine and amino acids an indicator of anti-inflammatory of some 12-N-substituted (−)-cytisine derivatives

Journal of photochemistry and photobiology. A, Chemistry., 2017-07, Vol.344, p.192-198

2017

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Interplay of Conformational and Chemical Transformations of Ortho-Substituted Aromatic Nitroso Oxides: Experimental and Theoretical Study

Journal of organic chemistry, 2017-08, Vol.82 (15), p.7750-7763

2017

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Ambident polyfluoroalkyl-substituted pyrazoles in the methylation reactions

Journal of fluorine chemistry, 2017-03, Vol.195, p.47-56

2017

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A theoretical quantitative estimation of acidity of uracil and its derivatives through the pKa values

Journal of the Chinese Chemical Society (Taipei), 2018-12, Vol.65 (12), p.1447-1452

2018

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Synthesis and Biological Evaluation of Polyfluoroalkylated Antipyrines and their Isomeric O-Methylpyrazoles

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2019-01, Vol.15 (5), p.521-536

2019

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Specific Intermolecular Interactions in the Supramolecular Structure of 5‐Hydroxy‐6‐Methyluracil: A DFT Study of the Hydrogen‐bonded Dimers

Journal of the Chinese Chemical Society (Taipei), 2017-02, Vol.64 (2), p.143-151

2017

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On the Mechanism of the [3+2]-Cycloaddition of Phenylnitroso Oxide to trans-Stilbene

Letters in organic chemistry, 2019-01, Vol.16 (3), p.161-164

2019

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Generation of stable carbocations in polydiphenylenesulfophthalide and ortho-substituted polytriarylcarbinols upon water desorption

Journal of polymer research, 2015-04, Vol.22 (4), p.1, Article 58

2015

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Heat Capacity Estimation Using a Complete Set of Homodesmotic Reactions for Organic Compounds

Theoretical determination of the standard enthalpies of formation of alkyl radicals using the concept of a complete set of homodesmotic reactions

Experimental and theoretical substantiation of differences of geometric isomers of copper(II) α-amino acid chelates in ATR-FTIR spectra

Glycyrrhetinic acid derivatives as Zika virus inhibitors: Synthesis and antiviral activity in vitro

Synthesis of 4-Aminopyrazol-5-ols as Edaravone Analogs and Their Antioxidant Activity

Optical Configuration Effect on the Structure and Reactivity of Diastereomers Revealed by Spin Effects and Molecular Dynamics Calculations

Selection of influenza virus resistant to the novel camphor-based antiviral camphecene results in loss of pathogenicity

New polymers based on thieno[3,2-]pyrrole derivatives and their electrochemical properties

Toward understanding the regioselectivity of the one‐pot reaction of phenylene diamines with aldehydes and cyclopentadiene (Povarov reaction). Combined experimental and theoretical approaches

On the use of the spectral luminescent method for studying acid–base equilibria of uracil derivatives in aqueous solutions

Ortho-Cyclization in Asymmetrically Substituted Arylnitroso Oxides

Experimental study and kinetic modeling of radical-coordination styrene polymerization with participation of ferrocene

The substituent effects on the [3+2] cycloaddition of nitrile oxides generated by photooxidation of arylazides to acetonitrile

The pKa theoretical estimation of C-H, N-H, O-H and S-H acids in dimethylsulfoxide solution

Nature of Lewis Base Catalysis of 1,3-Dipolar Cycloaddition of Methyl Diazoacetate to Methyl Acrylate; NMR Kinetic Spectroscopy and DFT Study

Detection and Structure of HOON: Microwave Spectroscopy Reveals an O-O Bond Exceeding 1.9 Å

5-Fluorouracil solutions: NMR study of acid-base equilibrium in water and DMSO

Luminescent characterization of interaction efficiency between (−)-cytisine and amino acids an indicator of anti-inflammatory of some 12-N-substituted (−)-cytisine derivatives

Interplay of Conformational and Chemical Transformations of Ortho-Substituted Aromatic Nitroso Oxides: Experimental and Theoretical Study

Ambident polyfluoroalkyl-substituted pyrazoles in the methylation reactions

A theoretical quantitative estimation of acidity of uracil and its derivatives through the pKa values

Synthesis and Biological Evaluation of Polyfluoroalkylated Antipyrines and their Isomeric O-Methylpyrazoles

Specific Intermolecular Interactions in the Supramolecular Structure of 5‐Hydroxy‐6‐Methyluracil: A DFT Study of the Hydrogen‐bonded Dimers

On the Mechanism of the [3+2]-Cycloaddition of Phenylnitroso Oxide to trans-Stilbene

Generation of stable carbocations in polydiphenylenesulfophthalide and ortho-substituted polytriarylcarbinols upon water desorption

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