Zobrazeno 1 - 10
of 17
pro vyhledávání: '"L. S. Nechaeva"'
Publikováno v:
Glass Physics and Chemistry. 46:78-83
Based on the Raman spectra and quantum chemical simulation, the structure of the [Pb(thio)2(mono-ac)2] coordination compound of lead acetate with thiocarbamide is found. It is shown that use of this compound in a water solution for the precipitation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1c43e28fcdfea9434c35ecd42407fdac
https://doi.org/10.1134/s1087659620010150
https://doi.org/10.1134/s1087659620010150
Publikováno v:
The Journal of Physical Chemistry C. 121:20524-20531
Sorption isotherms for l- and d-alanine from aqueous solutions on carbon nanotubes MKN-SWCNT-S1 were constructed. It was found that the sorption of d-alanine on the investigated carbon nanotubes (CNTs) is stronger than the sorption of l-alanine. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b7515a96ce1f7bc8d59dc6478ea9caf2
https://doi.org/10.1021/acs.jpcc.7b06849
https://doi.org/10.1021/acs.jpcc.7b06849
Publikováno v:
Journal of Structural Chemistry. 58:217-225
A computer simulation of complexes of (6,6) open carbon nanotubes (CNTs) with neutral molecules, zwitterions and glycine, alanine, and phenylalanine amino acid anions is performed. In starting structures amino acids are arranged in three types: on th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2aa2bc5ec33b5abdb5ef54e913240d44
https://doi.org/10.1134/s0022476617020019
https://doi.org/10.1134/s0022476617020019
Autor:
S. O. Smuseva, V. F. Selemenev, N. V. Mironenko, L. S. Nechaeva, E. V. Butyrskaya, T. A. Brezhneva
Publikováno v:
Colloid Journal. 79:219-225
A relationship between adsorption layer structure at different stages of sorbent filling, hydrophilicity, and spatial orientation of saponin in chitosan phase is revealed by joint analysis of the kinetic curves of saponin sorption, IR spectra of chit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d9a5ceb8f67f35dec81422bfc81a5591
https://doi.org/10.1134/s1061933x17020077
https://doi.org/10.1134/s1061933x17020077
Publikováno v:
Russian Journal of Physical Chemistry A. 91:567-571
The adsorption of ethylene glycol by carbon nanoparticles is studied. Carbon nanoparticles with the highest affinity to ethylene glycol are identified, and an adsorption isotherm is constructed. Based on quantum chemical calculations of the energies
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b912d6b884d462435517819df9944cef
https://doi.org/10.1134/s0036024417030062
https://doi.org/10.1134/s0036024417030062
Publikováno v:
Russian Journal of General Chemistry. 86:2526-2533
By means of computer modeling, the main regularities of the interaction of triterpene saponins with chitosan are revealed. It is shown that the sorption of glycosides changes the ordered configuration of chitosan, and the complex of chitosan with sap
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1c8de957a8876ab8fb7cbee09dd0fd8e
https://doi.org/10.1134/s1070363216110207
https://doi.org/10.1134/s1070363216110207
Publikováno v:
Computational and Theoretical Chemistry. 1090:1-5
The paint corrosion protection mechanism has been studied by density functional B3LYPGD3/6-31G(d,p) method using Gaussian09 program. The quantum-chemical study demonstrates the growth of anti-corrosion paint properties by the addition of carbon nanot
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6c60085a1b65a6fcbd4d632c35bf5d06
https://doi.org/10.1016/j.comptc.2016.05.012
https://doi.org/10.1016/j.comptc.2016.05.012
Publikováno v:
Journal of Structural Chemistry. 57:649-657
The structure and electrical properties of open carbon nanotube with chirality (4,4), consisting of 5-15 segments, are calculated within four quantum chemical models: AM1, PM3, LSDA/3-21G*, and B3LYP/6-31G. Size effects and the effect of the model ch
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3d94fad1376baad4dcfe8ee9ba9a44a5
https://doi.org/10.1134/s002247661604003x
https://doi.org/10.1134/s002247661604003x
Publikováno v:
Russian Journal of General Chemistry. 86:1684-1691
Structure, electric and adsorption properties of carbon open-end nanotubes of (6,6) chirality consisting of 5–19 segments were studied by quantum-chemical methods AM1, PM3, LSDA/3-21G, B3LYP/6-31G. The size effects and adsorption properties of nano
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::015afeecd7a2312178c48693a0660e91
https://doi.org/10.1134/s1070363216070252
https://doi.org/10.1134/s1070363216070252
Publikováno v:
Russian Journal of Physical Chemistry A. 90:1434-1438
The structure formed in a sorbent during the super-equivalent sorption of glycine by cation exchanger KU-2-8 is optimized via quantum chemical simulation. The differential thermodynamic characteristics of ion exchange and super-equivalent sorption in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::94631353b2d3e56128fe60e0b62827de
https://doi.org/10.1134/s0036024416070128
https://doi.org/10.1134/s0036024416070128