Estimating the energy of intramolecular hydrogen bonds from 1H NMR and QTAIM calculations von Afonin, Andrei V, Vashchenko, Alexander V, Sigalov, Mark V

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Revealing the Reasons for Degeneration of Resonance-Assisted Hydrogen Bond on the Aromatic Platform: Calculations of Ortho-, Meta-, Para-Disubstituted Benzenes, and ( Z )-( E )-Ole... von Afonin, Andrei V, Rusinska-Roszak, Danuta

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Benchmark calculations of intramolecular hydrogen bond energy based on molecular tailoring and function‐based approaches: Developing hybrid approach von Afonin, Andrei V., Vashchenko, Alexander V.

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A molecular tailoring approach - a new guide to quantify the energy of push-pull effects: a case study on ()-3-(1-pyrrol-2-yl)prop-2-enones von Afonin, Andrei V, Rusinska-Roszak, Danuta

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Quantitative decomposition of resonance‐assisted hydrogen bond energy in β‐diketones into resonance and hydrogen bonding (π‐ and σ‐) components using molecular tailoring and functi... von Afonin, Andrei V., Vashchenko, Alexander V.

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Quantification of hydrogen bond energy based on equations using spectroscopic, structural, QTAIM-based, and NBO-based descriptors which calibrated by the molecular tailoring approa... von Afonin, Andrei V., Rusinska-Roszak, Danuta

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Localized orbital locator as a descriptor for quantification and digital presentation of lone pairs: benchmark calculations of 4-substituted pyridines von Afonin, Andrei V, Semenov, Valentin A, Vashchenko, Alexander V

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Digitization of the electron shell via the localized orbital locator formalism: trends in the size and electronegativity changes of atoms across the periodic table von Afonin, Andrei V., Semenov, Valentin A., Vashchenko, Alexander V.

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KOBut/DMSO-Mediated α‑C–H Vinylation of N‑Benzyl Ketimines with Acetylene Gas: Stereoselective Synthesis of (E,Z)‑2-Azadienes von Bidusenko, Ivan A, Schmidt, Elena Yu, Protsuk, Nadezhda I, Ushakov, Igor A, Vashchenko, Alexander V, Afonin, Andrei V, Trofimov, Boris A

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Molecular tailoring approach as tool for revealing resonance‐assisted hydrogen bond: Case study of Z‐pyrrolylenones with the NH⋯OС intramolecular hydrogen bond von Afonin, Andrei V., Rusinska‐Roszak, Danuta

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Evidence for the O-H⋅⋅⋅O=C Resonance-Assisted Hydrogen Bond in Tropolones and Quantification of its σ- and π-Components Using Molecular Tailoring Approach von Afonin, Andrei V, Rusinska-Roszak, Danuta

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Estimating the energy of intramolecular hydrogen bonds from 1 H NMR and QTAIM calculations von Afonin, Andrei V, Vashchenko, Alexander V, Sigalov, Mark V

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Estimating the energy of intramolecular bifurcated (three-centered) hydrogen bond by X-ray, IR and 1H NMR spectroscopy, and QTAIM calculations von Afonin, Andrei V., Sterkhova, Irina V., Vashchenko, Alexander V., Sigalov, Mark V.

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Stereoselective C(2)-Vinylation of 1-Substituted Imidazoles with 3-Phenyl-2-propynenitrile von Trofimov, Boris A, Andriyankova, Lyudmila V, Belyaeva, Kseniya V, Mal’kina, Anastasiya G, Nikitina, Lina P, Afonin, Andrei V, Ushakov, Igor A

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Solvent-induced E/Z isomerization of 2-(furylmethylidene)-1-hydrazinecarbothioamide: The N–H⋅⋅⋅O intramolecular hydrogen bond as promoting factor von Afonin, Andrei V., Pavlov, Dmitry V., Albanov, Alexander V., Mal'kina, Anastasiya G.

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Guide to tuning the chalcone molecular properties based on the push‐pull effect energy scale created via the molecular tailoring approach von Afonin, Andrei V., Rusinska‐Roszak, Danuta

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Catalyst-free nucleophilic substitution of hydrogen in quinoline rings by acylethynylpyrroles: stereoselective synthesis of 2-(-2-acylethenylpyrrolyl)quinolines von Belyaeva, Kseniya V, Nikitina, Lina P, Oparina, Ludmila A, Saliy, Veronika S, Tomilin, Denis N, Kuzmin, Anton V, Afonin, Andrei V, Trofimov, Boris A

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Estimating the energy of intramolecular bifurcated (three-centered) hydrogen bond by X-ray, IR and 1 H NMR spectroscopy, and QTAIM calculations von Afonin, Andrei V., Sterkhova, Irina V., Vashchenko, Alexander V., Sigalov, Mark V.

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Cyanoacetylenes as Triggers and Partners in KOH-Assisted Assemblies of Quinoline-Based Dihydropyrimido[1,2‑a]quinolin-3-ones on Water von Belyaeva, Kseniya V, Nikitina, Lina P, Mal’kina, Anastasiya G, Afonin, Andrei V, Vashchenko, Alexander V, Trofimov, Boris A

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5-(1H-Indol-3-yl)-1-methyl-3-phenyl-1,6-benzodiazocin-2(1H)-one von Belyaeva, Kseniya V., Tomilin, Denis N., Afonin, Andrei V., Trofimov, Boris A.

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