Search Results - Shchavlev, Andrew E.

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  1. 1
    Intramolecular Hydrogen-Bonding Interactions in 2-Nitrosophenol and Nitrosonaphthols:  Ab Initio, Density Functional, and Nuclear Magnetic Resonance Theoretical Study

    Intramolecular Hydrogen-Bonding Interactions in 2-Nitrosophenol and Nitrosonaphthols:  Ab Initio, Density Functional, and Nuclear Magnetic Resonance Theoretical Study by Shchavlev, Andrew E., Pankratov, Alexei N., Enchev, Venelin

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  2. 2
    DFT Study of the Monomers and Dimers of 2-Pyrrolidone:  Equilibrium Structures, Vibrational, Orbital, Topological, and NBO Analysis of Hydrogen-Bonded Interactions

    DFT Study of the Monomers and Dimers of 2-Pyrrolidone:  Equilibrium Structures, Vibrational, Orbital, Topological, and NBO Analysis of Hydrogen-Bonded Interactions by Shchavlev, Andrew E, Pankratov, Alexei N, Borodulin, Vladimir B, Chaplygina, Olga A

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  3. 3
    Theoretical Studies on the Intramolecular Hydrogen Bond and Tautomerism of 8-Mercaptoquinoline in the Gaseous Phase and in Solution Using Modern DFT Methods

    Theoretical Studies on the Intramolecular Hydrogen Bond and Tautomerism of 8-Mercaptoquinoline in the Gaseous Phase and in Solution Using Modern DFT Methods by Shchavlev, Andrew E, Pankratov, Alexei N, Shalabay, Alexei V

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  4. 4
    DFT computational studies on rotation barriers, tautomerism, intramolecular hydrogen bond, and solvent effects in 8-hydroxyquinoline

    DFT computational studies on rotation barriers, tautomerism, intramolecular hydrogen bond, and solvent effects in 8-hydroxyquinoline by Shchavlev, Andrew E., Pankratov, Alexei N., Shalabay, Alexei V.

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  5. 5
    Group Electronegativities, Inductive and Mesomeric Parameters from Semiempirical Quantum Chemical Computations

    Group Electronegativities, Inductive and Mesomeric Parameters from Semiempirical Quantum Chemical Computations by Pankratov, Alexei N., Shchavlev, Andrew E.

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  6. 6
    Gruppenelektronegativitäten, induktive und mesomere Parameter aus semiempirischenquantenchemischen Berechnungen

    Gruppenelektronegativitäten, induktive und mesomere Parameter aus semiempirischenquantenchemischen Berechnungen by Pankratov, Alexei N., Shchavlev, Andrew E.

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  7. 7
    Semiempirical quantum chemical methods: testing of physicochemical properties of acyclic and aromatic compounds

    Semiempirical quantum chemical methods: testing of physicochemical properties of acyclic and aromatic compounds by Pankratov, Alexei N., Shchavlev, Andrew E.

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