Zobrazeno 1 - 10
of 38
pro vyhledávání: '"M. I. Skvortsova"'
Publikováno v:
Тонкие химические технологии, Vol 15, Iss 6, Pp 84-103 (2021)
Objectives. This article aims to describe, elaborate, and test a general algorithmic method for constructing the structure–property models for organic compounds.Results. The construction of the models is based on the statistical analysis of some se
Externí odkaz:
https://doaj.org/article/730250d4e89f478d956ed883d94794d4
Publikováno v:
Тонкие химические технологии, Vol 11, Iss 4, Pp 50-55 (2016)
This work is devoted to comparison of optical absorption value of titanium dioxide coatings obtained by means of reactive thermal evaporation (RTE) and its activated species (ARTE), as well as to study on the dependence of the absorption coefficient
Externí odkaz:
https://doaj.org/article/1d383f20bcc14f1dbec2fba02c6f97ee
Publikováno v:
Тонкие химические технологии, Vol 9, Iss 5, Pp 86-93 (2014)
A new form of representing the structures of saturated hydrocarbons as hypergraphs of special kind is suggested. A vertex of such hypergraph corresponds to a carbon atom in the molecule, and a hyperedge is defined as a set of vertices corresponding t
Externí odkaz:
https://doaj.org/article/836a40869a2a4aa599fe6a72bd7dd042
Publikováno v:
Тонкие химические технологии, Vol 8, Iss 5, Pp 128-135 (2013)
Searching the quantitative structure–property relationships (QSPR) is one of the most important tasks of the contemporary theoretical chemistry. The models obtained may be used for prognosis of the chemical substances properties on the basis of the
Externí odkaz:
https://doaj.org/article/b32278bc854d470f936c86a81bda5162
Publikováno v:
Тонкие химические технологии, Vol 6, Iss 6, Pp 19-22 (2011)
The geometry, electronic structure and stability of endohedral complexes Pdn@C60, n=1,…,4, were investigated by a quantum chemistry method (DFT/PBE). The heat of formation ΔНf of a complex consisting of C60 and n Pd atoms was used as a measure of
Externí odkaz:
https://doaj.org/article/862dafc19d8e4b6d867a343a5bb39468
Autor:
M. I. Skvortsova, N. S. Rukk
Publikováno v:
Тонкие химические технологии, Vol 4, Iss 6, Pp 110-113 (2009)
In the framework of the statistical approach the non-linear «structure - melting point» model for pyrazolone derivatives is constructed. Number of topological parameters calculated from the structural formula was used for the quantitative descripti
Externí odkaz:
https://doaj.org/article/7a04d0dde79947edae078713f397f32f
Autor:
M. I. Skvortsova
Publikováno v:
Тонкие химические технологии, Vol 3, Iss 6, Pp 63-66 (2008)
New method for the constructing the quantitative structure-property relationships of organic compounds represented as labeled graphs is suggested. It is based on some results of spectral graph theory. A number of examples of application of this metho
Externí odkaz:
https://doaj.org/article/01f0332678b84074a46786bbb55748cc
Publikováno v:
Тонкие химические технологии, Vol 7, Iss 6, Pp 110-112 (2012)
New method for establishing the quantitative structure-property relationships of organic compounds represented as weighted molecular graphs is suggested. It is based on the selection of optimal weights of vertices of these graphs. Examples of applica
Externí odkaz:
https://doaj.org/article/cc402891ee2b4b739260d7fa0320e0ed
Publikováno v:
Journal of Applied Spectroscopy. 86:1-26
Problems connected with the use of quantum-cascade lasers (QCLs) in biomedical practice are discussed. A comparative analysis was made of laser spectroscopic methods for noninvasive diagnostics of diseases by exhaled air; examples of the practical im
Publikováno v:
Journal of Optical Technology. 85:803
It is established that the mechanisms of light absorption in titanium dioxide films differ in the visible and near-infrared spectral ranges. In the near-infrared range of the spectrum, the contribution to the absorption coefficient made by the intrin