Alexander V. Vashchenko

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc2dk2qs

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CCDC 2209935: Experimental Crystal Structure Determination

The Cambridge Structural Database (2023)

Maxim D. Gotsko Ivan V. Saliy Alexander V. Vashchenko Б. А. Трофимов

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc2d5m7g

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CCDC 1852755: Experimental Crystal Structure Determination

The Cambridge Structural Database (2023)

Б. А. Трофимов Ludmila Oparina Nikita A. Kolyvanov Igor А. Ushakov Anastasiya G. Mal’kina

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc205y9g

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Case study of 2-vinyloxypyridine: Quantitative assessment of the intramolecular C H⋯N hydrogen bond energy and its contribution to the one-bond 13C1H coupling constant

Journal of Molecular Structure (2018)

А. В. Афонин Dmitry V. Pavlov Alexander V. Vashchenko

Polarizable continuum model

Coupling constant

Sextuple bond

Bond energy

Atoms in molecules

Bent bond

10.1016/j.molstruc.2018.08.050

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Citations (9)

DFT prediction of anomalously large blue shift of the C–H stretching frequency in 2-vinyloxypyridine and -quinoline due to the intramolecular C–H···N hydrogen bonding

Journal of Molecular Structure THEOCHEM (2009)

А. В. Афонин Alexander V. Vashchenko

Quinoline

Blueshift

Red shift

Frequency shift

10.1016/j.theochem.2009.10.004

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Citations (14)

CCDC 1538905: Experimental Crystal Structure Determination

The Cambridge Structural Database (2017)

V. S. Nikonova Е. П. Леванова Н. А. Корчевин Igor A. Ushakov Alexander V. Vashchenko

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc1nnc3s

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Localized orbital locator as a descriptor for quantification and digital presentation of lone pairs: benchmark calculations of 4-substituted pyridines

Physical Chemistry Chemical Physics (2021)

А. В. Афонин Valentin A. Semenov Alexander V. Vashchenko

The parameters of the (3,-3) critical point in the localized orbital locator topology near a heteroatom have been found to reflect the changes in the size, density and electron energy of the lone pair and correlate with the donor ability of the lone pair carrying heteroatom.

Lone pair

Heteroatom

10.1039/d1cp04143f

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Citations (10)

CCDC 1482718: Experimental Crystal Structure Determination

The Cambridge Structural Database (2018)

Б.А. Трофимов Kseniya V. Belyaeva Lina P. Nikitina А. Г. Малькина А. В. Афонин

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc1lrwmv

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Alexander V. Vashchenko

Papers

Citation

H-Index

i-10 index

Papers

Citation

H-Index

i-10 index