Treffer 1 - 17 von 17 für Suche 'Afonin, Andrei V', Suchdauer: 2,33s Treffer weiter einschränken
  1. 1
    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
    Veröffentlicht in: Journal of computational chemistry (2022)

    Online-Aufsatz

  2. 2
    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
    Veröffentlicht in: Journal of computational chemistry (2022)

    Online-Aufsatz

  3. 3
    Quantitative decomposition of resonance-assisted hydrogen bond energy in β-diketones into resonance and hydrogen bonding (π- and σ-) components using molecular tailoring and function-based approaches
    von Afonin, Andrei V
    Veröffentlicht in: Journal of computational chemistry (2020)

    Online-Aufsatz

  4. 4
    Study of spontaneous E/Z isomerization of bis[(Z)-cyanomethylidene]-diazapentacyclodienedicarboxylates by 1 H, 13 C, and 15 N NMR spectroscopy, X-ray, and quantum chemical calculation data

    Online-Aufsatz

  5. 5
    Experimental and theoretical study of the intramolecular C-H···N and C-H···S hydrogen bonding effects in the 1H and 13C NMR spectra of the 2-(alkylsulfanyl)-5-amino-1-vinylpyrroles a particular state of amine nitrogen

    Online-Aufsatz

  6. 6
    Structural peculiarities of configurational isomers of 1-styrylpyrroles according to 1Н, 13С and 15N NMR spectroscopy and density functional theory calculations electronic and steric hindrance for planar structure

    Online-Aufsatz

  7. 7
    Stereospecificity of (1) H, (13) C and (15) N shielding constants in the isomers of methylglyoxal bisdimethylhydrazone problem with configurational assignment based on (1) H chemical shifts

    Online-Aufsatz

  8. 8
    Study of stereospecificity of 1H, 13C, 15N and 77Se shielding constants in the configurational isomers of the selenophene-2-carbaldehyde azine by NMR spectroscopy and MP2-GIAO calculations

    Online-Aufsatz

  9. 9
    GIAO, DFT, AIM and NBO analysis of the N-H...O intramolecular hydrogen-bond influence on the 1J(N,H) coupling constant in push-pull diaminoenones

    Online-Aufsatz

  10. 10
    Study of conformations and hydrogen bonds in the configurational isomers of pyrrole-2-carbaldehyde oxime by 1H, 13C and 15N NMR spectroscopy combined with MP2 and DFT calculations and NBO analysis

    Online-Aufsatz

  11. 11
    Theoretical study of bifurcated hydrogen bonding effects on the 1J(N,H), 1hJ(N,H), 2hJ(N,N) couplings and 1H, 15N shieldings in model pyrroles

    Online-Aufsatz

  12. 12
    Comparative analysis of 13C shielding constants stereospecificity in the silicon and germanium derivatives of acetylenic aldehyde and ketone oximes based on the 13C NMR spectroscopy and GIAO calculations

    Online-Aufsatz

  13. 13
    Pronounced stereospecificity of (1)H, (13)C, (15)N and (77)Se shielding constants in the selenophenyl oximes as shown by NMR spectroscopy and GIAO calculations

    Online-Aufsatz

  14. 14
    C-H...N and C-H...O intramolecular hydrogen bonding effects in the 1H, 13C and 15N NMR spectra of the configurational isomers of 1-vinylpyrrole-2-carbaldehyde oxime substantiated by DFT calculations

    Online-Aufsatz

  15. 15
    Comparative analysis of hydrogen bonding with participation of the nitrogen, oxygen and sulfur atoms in the 2(2'-heteroaryl)pyrroles and their trifluoroacetyl derivatives based on the 1H, 13C, 15N spectroscopy and DFT calculations

    Online-Aufsatz

  16. 16
    Bifurcated hydrogen-bonding effect on the shielding and coupling constants in trifluoroacetyl pyrroles as studied by 1H, 13C and 15N NMR spectroscopy and DFT calculations
    Aufsatz

  17. 17
    Different types of hydrogen bonds in 2-substituted pyrroles and 1-vinyl pyrroles as monitored by (1)H, (13)C and (15)N NMR spectroscopy and ab initio calculations
    Aufsatz

Suchwerkzeuge: RSS-Feed abonnieren — Diese Suche als E-Mail versenden