МОДЕЛЮВАННЯ КОМПЛЕКСІВ НИЗЬКООСНОВНОГО ОКСИХЛОРИДУ АЛЮМІНІЮ З ОРТОСИЛІКАТНИМИ КИСЛОТАМИ У ВОДНОМУ РОЗЧИНІ

Autor: Mandryka, Artem H., Pasenko, Oleksandr O., Vereschak, Viktor H., Osokin, Yevhen S.

Publikováno v: Journal of Chemistry and Technologies; Том 31 № 1 (2023): Journal of Chemistry and Technologies; 44-50
Journal of Chemistry and Technologies; Vol. 31 No. 1 (2023): Journal of Chemistry and Technologies; 44-50

In the article, it is theoretically shown and experimentally confirmed that aluminum oxychloride "Alumofloc" at pH 7.5 interacts better with the monomeric form of orthosilicate acid. Determination of orthosilicic acid was carried out by the method of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=issn2306871X::49aa2608233536c153cec57561f46a8e
http://chemistry.dnu.dp.ua/article/view/271537

КВАНТОВО-ХІМІЧНЕ МОДЕЛЮВАННЯ АКВАХЛОРОКОМПЛЕКСІВ Cu+ З АКРИЛОВОЮ, МАЛЕЇНОВОЮ ТА ФУМАРОВОЮ КИСЛОТАМИ

Autor: Kurasova, Yuliia D., Vargalyuk, Victor F., Polonskyy, Volodymyr A.

Publikováno v: Journal of Chemistry and Technologies; Том 30 № 4 (2022): Journal of Chemistry and Technologies; 530-536
Journal of Chemistry and Technologies; Vol. 30 No. 4 (2022): Journal of Chemistry and Technologies; 530-536

The laws of the combined action of σ- and π-ligands on the electronic structure and thermodynamic parameters of Cu+ acidoaquachlorocomplexes were investigated using the method of quantum chemical modeling. It was found that anhydrous chloride compl

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=issn2306871X::c031c07210f549c2cbe8991eb93ba7a8
http://chemistry.dnu.dp.ua/article/view/263280

КВАНТОВО-ХІМІЧНЕ МОДЕЛЮВАННЯ КЛАСТЕРІВ ОРТОСИЛІКАТНОЇ КИСЛОТИ З ДЕЯКИМИ КИСЛОТАМИ У ВОДНОМУ РОЗЧИНІ

Autor: Mandryka , Artem G., Pasenko , Oleksandr O., Vereschak , Viktor H., Osokin, Yevhen S.

Publikováno v: Journal of Chemistry and Technologies; Том 30 № 2 (2022): Journal of Chemistry and Technologies; 159-165
Journal of Chemistry and Technologies; Vol. 30 No. 2 (2022): Journal of Chemistry and Technologies; 159-165

A theoretical study at the DFT level was performed, where the energy parameters of hydrogen bonds for H4SiO4 · L composition clusters were shown, where L is H2O, CH3SO3H, CH3SO3−, H3PO4, H2PO4−, HPO42−, PO43−, HSO4−, SO42−, and their rea

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=issn2306871X::751470857407cc1b5f3e81b50e521f88
http://chemistry.dnu.dp.ua/article/view/258938

Квантово-хімічне моделювання ацидохлорокомплексів Cu2+, що містять аніони органічних кислот

Publikováno v: Journal of Chemistry and Technologies; Том 30 № 1 (2022): Journal of Chemistry and Technologies; 44-51
Journal of Chemistry and Technologies; Vol. 30 No. 1 (2022): Journal of Chemistry and Technologies; 44-51

The results of quantum-chemical modeling (Gaussian 09, B3LYP functional) of complex structures that can form from Cu2+ aqua complexes, chloride ions, and anions of organic acids (malonic, succinic, maleic, fumaric, formic, acetic, propionic, butanoic

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=scientific_p::e7daa6084df4886c99ccbb070b9c606d
http://chemistry.dnu.dp.ua/article/view/253575

The analisis of interaction of monosaccharides with aminoacids in food raw by quantum-chemical methods

Autor: Inna Popova, Olena Mayboroda, Natalia Simurova, Oleksandr Karmashov

Publikováno v: Technology Audit and Production Reserves, Vol 6, Iss 3(56), Pp 31-36 (2020)
Technology audit and production reserves; Том 6, № 3(56) (2020): Chemical engineering; 31-36
Technology audit and production reserves; Том 6, № 3(56) (2020): Хімічна інженерія; 31-36
Technology audit and production reserves; Том 6, № 3(56) (2020): Химическая инженерия; 31-36

The object of research is the products of hydrolysis of the polysaccharide inulin (glucose, fructose) of plant raw materials used for the production of food products for health-improving and prophylactic purposes. The search for optimal conditions fo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38d1af58f321da3ddd03de2c275f645c
https://doi.org/10.15587/2706-5448.2020.218156