Zobrazeno 1 - 10
of 18
pro vyhledávání: '"Natalia F. Moiseeva"'
Publikováno v:
Техника и технология пищевых производств, Vol 51, Iss 2, Pp 209-219 (2021)
Introduction. Fluorescence is one of the most promising methods of food quality tests. Fluorescein disodium salt is used as a means of diagnostics in medicine and food production. In particular, fluorophore can determine the ripening stage of boneles
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1244a1342314b1749d351093805ef7ae
http://fptt.ru/eng/?page=archive&jrn=61&article=1
http://fptt.ru/eng/?page=archive&jrn=61&article=1
Autor:
Heinz Oberhammer, Igor F. Shishkov, Natalia F. Moiseeva, Denis N. Ksenafontov, Anatoliy N. Rykov
Publikováno v:
Structural Chemistry. 24:171-179
The gas-phase structure and conformational properties of carphedon (C12H14N2O2, phenylpiracetam, 2-oxo-4-phenyl-1-pyrrolidineacetamide) have been determined by gas electron diffraction (GED) and quantum chemical calculations (B3LYP and MP2 with 6-31G
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::357ad954a40c853d969de12e608f0ad6
https://doi.org/10.1007/s11224-012-0039-6
https://doi.org/10.1007/s11224-012-0039-6
Autor:
Igor F. Shishkov, L. V. Khristenko, Lev V. Vilkov, Denis N. Ksenafontov, Natalia F. Moiseeva, Nikolai M. Karasev
Publikováno v:
Journal of Molecular Structure. 984:89-95
The geometric structure of piracetam was studied by quantum chemical calculations (DFT and ab initio), gas electron diffraction (GED), and FTIR spectroscopy. Two stable mirror symmetric isomers of piracetam were found. The conformation of pyrrolidine
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bd6fd6329618bc84afb5d56616b5e31c
https://doi.org/10.1016/j.molstruc.2010.09.011
https://doi.org/10.1016/j.molstruc.2010.09.011
Publikováno v:
Structural Chemistry. 17:383-392
The enthalpies of formation of chlorinated methanes, ethanes, ethylenes, phenols, and benzenes have been calculated at the G3X level of theory using the atomization energy procedure and the method of isodesmic reactions. By comparing the most reliabl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2f925a0ef21869d208544659ed6637f
https://doi.org/10.1007/s11224-006-9047-8
https://doi.org/10.1007/s11224-006-9047-8
Autor:
Olga V. Dorofeeva, Natalia F. Moiseeva
Publikováno v:
The Journal of Physical Chemistry A. 110:8925-8932
The enthalpies of formation of organophosphorus(III) compounds have been calculated at the G3X, G3X(MP2), and B3LYP/6-311+G(3df,2p)//B3LYP/6-31G(d,p) levels of theory using the atomization energy procedure and the method of isodesmic reactions. The D
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2c519e588cd69fc05dc5311b749ea1cf
https://doi.org/10.1021/jp060982f
https://doi.org/10.1021/jp060982f
Publikováno v:
Journal of Structural Chemistry. 46:237-242
Full geometry optimization for all 209 isomers of polychlorinated biphenyls (PCBs) and calculations of internal rotation potentials for 154 isomers have been performed by density functional method B3LYP/6-31G(d, p). Conformations and internal rotatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e40db7c2efb83b67f37d023bcaf0a218
https://doi.org/10.1007/s10947-006-0036-y
https://doi.org/10.1007/s10947-006-0036-y
Publikováno v:
The Journal of Physical Chemistry A. 108:8324-8332
The molecular structures, vibrational frequencies, and internal rotational potentials of 209 polychlorinated biphenyls were computed at the B3LYP/6-31G(d,p) density functional theory level. Standard entropies, S°(T), heat capacities, and enthalpies,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f0a6d1003fde396f1dc64f3244b02e01
https://doi.org/10.1021/jp0477710
https://doi.org/10.1021/jp0477710
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 637:137-153
Torsional barriers, potential energy curves, structural parameters and vibrational frequencies were calculated for 119 polychlorinated biphenyls (PCBs) at the B3LYP/6-31G(d,p) density functional theory level. From these calculations, the molecular pa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e4c99f40c7b408233600ea9eb4747a08
https://doi.org/10.1016/s0166-1280(03)00530-x
https://doi.org/10.1016/s0166-1280(03)00530-x
Publikováno v:
Thermochimica Acta. 374:7-11
Ideal gas thermodynamic properties for biphenyl have been calculated by statistical thermodynamics method on the basis of available experimental data and the results of recent high-level quantum mechanical calculations. More precise information about
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::79ad9f8760bed2f13a377463f500d0db
https://doi.org/10.1016/s0040-6031(01)00492-0
https://doi.org/10.1016/s0040-6031(01)00492-0
Publikováno v:
Journal of Chemical & Engineering Data. 46:286-298
Thermodynamic data including enthalpies of formation and fusion, entropies, and heat capacities have been derived for dibenzo-p-dioxin, dibenzofuran, and their polychlorinated derivatives in the solid and liquid states. The evaluated data are based o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d52d0f64bc72faaaf3da4280ebb32dda
https://doi.org/10.1021/je000209s
https://doi.org/10.1021/je000209s