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https://dspace.ncfu.ru/handle/20.500.12258/11479
Title: | On the structure of zinc(II) coordination compounds with l-histidine |
Authors: | Aksenov, N. A. Аксенов, Н. А. |
Keywords: | Quantum chemical calculations;XRD;C-13 NMR;L-histidine;IR |
Issue Date: | 2019 |
Publisher: | PLEIADES PUBLISHING INC |
Citation: | 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 |
Series/Report no.: | JOURNAL OF STRUCTURAL CHEMISTRY |
Abstract: | 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 |
URI: | 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 |
Appears in Collections: | Статьи, проиндексированные в SCOPUS, WOS |
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