On the structure of zinc(II) coordination compounds with l-histidine
Spatial and electronic structures of various zinc(II) coordination compounds containing different L-histidine forms are quantum-chemically calculated with the HyperChem 8.0 software taking into account the effect of the solvent (water). Geometry optimization is performed by molecular mechanics, the...
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PLEIADES PUBLISHING INC
2020
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ir-20.500.12258-114792024-05-27T10:27:38Z On the structure of zinc(II) coordination compounds with l-histidine Aksenov, N. A. Аксенов, Н. А. Quantum chemical calculations XRD C-13 NMR L-histidine IR Spatial and electronic structures of various zinc(II) coordination compounds containing different L-histidine forms are quantum-chemically calculated with the HyperChem 8.0 software taking into account the effect of the solvent (water). Geometry optimization is performed by molecular mechanics, the semiempirical MNDO/d method, and the Polak-Ribiere nonlinear conjugate gradient method. Molecular geometry is optimized in the three-dimensional space without symmetry constraints. IR spectroscopy, C-13 NMR, and XRD methods are used to determine the composition, structure, and geometry of the coordination site of the zinc(II) complex with L-histidine 2020-02-21T08:39:04Z 2020-02-21T08:39:04Z 2019 Статья Panyushkin, VT; Volynkin, VA; Lindt, DA; Tsaturyan, SP; Dzhabrailova, LK; Shamsutdinova, MK; Aksenov, NA. On the structure of zinc(II) coordination compounds with l-histidine // JOURNAL OF STRUCTURAL CHEMISTRY. - 2019. - Том: 60. - Выпуск: 11. - Стр.: 1757-1764 http://apps.webofknowledge.com/full_record.do?product=WOS&search_mode=GeneralSearch&qid=15&SID=E1foOAlVMmMF3jxHUZa&page=1&doc=1 http://hdl.handle.net/20.500.12258/11479 en Journal of Structural Chemistry application/pdf PLEIADES PUBLISHING INC |
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СКФУ |
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Репозиторий |
| language |
English |
| topic |
Quantum chemical calculations XRD C-13 NMR L-histidine IR |
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Quantum chemical calculations XRD C-13 NMR L-histidine IR Aksenov, N. A. Аксенов, Н. А. On the structure of zinc(II) coordination compounds with l-histidine |
| description |
Spatial and electronic structures of various zinc(II) coordination compounds containing different L-histidine forms are quantum-chemically calculated with the HyperChem 8.0 software taking into account the effect of the solvent (water). Geometry optimization is performed by molecular mechanics, the semiempirical MNDO/d method, and the Polak-Ribiere nonlinear conjugate gradient method. Molecular geometry is optimized in the three-dimensional space without symmetry constraints. IR spectroscopy, C-13 NMR, and XRD methods are used to determine the composition, structure, and geometry of the coordination site of the zinc(II) complex with L-histidine |
| format |
Статья |
| author |
Aksenov, N. A. Аксенов, Н. А. |
| author_facet |
Aksenov, N. A. Аксенов, Н. А. |
| author_sort |
Aksenov, N. A. |
| title |
On the structure of zinc(II) coordination compounds with l-histidine |
| title_short |
On the structure of zinc(II) coordination compounds with l-histidine |
| title_full |
On the structure of zinc(II) coordination compounds with l-histidine |
| title_fullStr |
On the structure of zinc(II) coordination compounds with l-histidine |
| title_full_unstemmed |
On the structure of zinc(II) coordination compounds with l-histidine |
| title_sort |
on the structure of zinc(ii) coordination compounds with l-histidine |
| publisher |
PLEIADES PUBLISHING INC |
| publishDate |
2020 |
| url |
http://apps.webofknowledge.com/full_record.do?product=WOS&search_mode=GeneralSearch&qid=15&SID=E1foOAlVMmMF3jxHUZa&page=1&doc=1 https://dspace.ncfu.ru/handle/20.500.12258/11479 |
| work_keys_str_mv |
AT aksenovna onthestructureofzinciicoordinationcompoundswithlhistidine AT aksenovna onthestructureofzinciicoordinationcompoundswithlhistidine |
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1809808775016611840 |