Search Results - "M. I. Skvortsova"

Remote Recognition of Materials Using Laser Photothermal Radiometry by Abramov, P. I., Kuznetsov, E. V., Skvortsov, L. A., Skvortsova, M. I.

“…The feasibility of recognizing opaque materials in remote objects using pulsed laser photothermal radiometry with prolonged pulsed exposure is examined…”
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Quantum-Cascade Lasers in Medicine and Biology (Review) by Abramov, P. I., Kuznetsov, E. V., Skvortsov, L. A., Skvortsova, M. I.

“…Problems connected with the use of quantum-cascade lasers (QCLs) in biomedical practice are discussed. A comparative analysis was made of laser spectroscopic…”
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Structure–property models of organic compounds based on molecular graphs with elements of the spatial structures of the molecules by Shulaeva, N. A., Skvortsova, M. I., Mikhailova, N. A.

“…Objectives . This article aims to describe, elaborate, and test a general algorithmic method for constructing the structure–property models for organic…”
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STUDY OF MECHANISMS OF LIGHT ABSORPTION IN TITANIUM DIOXIDE FILMS by V. V. Novopashin, L. A. Skvortsov, M. I. Skvortsova

“…This work is devoted to comparison of optical absorption value of titanium dioxide coatings obtained by means of reactive thermal evaporation (RTE) and its…”
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Design of topological indices: computer-oriented approach by Skvortsova, M.I., Palyulin, V.A., Zefirov, N.S.

“…A novel method is suggested for constructing topological indices (TIs) of molecular graphs which models human logic. This method is described in terms of a…”
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On the probabilistic approach to the determination of the range of applicability of structure-property relationship equations by Skvortsova, M. I., Fedyaev, K. S., Palyulin, V. A., Zefirov, N. S.

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Modeling of structure?property relationships for hydrocarbons involving the basis topological descriptors by Skvortsova, M. I., Fedyaev, K. S., Palyulin, V. A., Zefirov, N. S.

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Hypergraph models of hydrocarbon molecules and their applications in computer chemistry by M. I. Skvortsova, I. I. Fashutdinova, N. A. Mikhailova

“…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…”
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Investigation of the structure and properties of several endohedral clusters and generalization of the concept of molecular topological form by Stankevich, I. V., Chistyakov, A. L., Skvortsova, M. I.

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Modelling the structure-property relationships of organic compounds using the basic subgraphs of molecular graphs by M. I. Skvortsova

“…New method for the constructing the quantitative structure-property relationships of organic compounds represented as labeled graphs is suggested. It is based…”
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Synthesis of partially thermally coupled extractive distillation flowsheets by Skvortsova, M. I., Timoshenko, A. V., Rudakov, D. G.

“…For sequences involving (i) two-product columns and (ii) partially thermally and materially coupled complexes, algorithms are developed for the exhaustive…”
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Modelling the relation between the structure and physicochemical properties of organic compounds on the basis of optimal atomic parameters by Ya. Ya. Yakovenko, M. I. Skvortsova, N. A. Mikhailova

“…New method for establishing the quantitative structure-property relationships of organic compounds represented as weighted molecular graphs is suggested. It is…”
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Synthesis of partially thermally coupled distillation flowsheets: Zeotropic mixtures by Skvortsova, M. I., Timoshenko, A. V., Rudakov, D. G.

“…This article presents a detailed description of algorithms for generating the complete set of n -component zeotropic distillation flowsheets for sequences of…”
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ESTIMATION OF PROTONATION ABILITY OF SOME ORGANIC BASES BY THEIR STRUCTURAL FORMULAE by R. A. Osipov, N. S. Rukk, M. I. Skvortsova, V. V. Zamalyutin, A. Yu. Skryabina

“…Searching the quantitative structure–property relationships (QSPR) is one of the most important tasks of the contemporary theoretical chemistry. The models…”
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Investigation of the geometry and electronic structure of endohedral complexes Pdn@C60, n=1,…,4, by quantum chemistry methods by G. E. Gal’pern, I. V. Stankevich, M. I. Skvortsova

“…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…”
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Modeling the relationship between the structure and melting point of pyrazolone derivatives: topological approach by M. I. Skvortsova, N. S. Rukk

“…In the framework of the statistical approach the non-linear «structure - melting point» model for pyrazolone derivatives is constructed. Number of topological…”
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Generation of molecular structures of polycondensed benzenoid hydrocarbons using the randic index by Skvortsova, M. I., Stankevich, I. V., Zefirov, N. S.

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Use of projection operators for numbering atoms and investigating symmetry properties of molecular structures by Stankevich, I. V., Skvortsova, M. I., Tomilin, O. B., Zefirov, N. S.

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Chemical graphs and their basis invariants by Skvortsova, M.I., Baskin, I.I., Skvortsov, L.A., Palyulin, V.A., Zefirov, N.S., Stankevich, I.V.

“…Molecular graph invariants are often used as molecular descriptors in `structure-property' correlations. There exists an infinite number of graph invariants…”
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On the Basis of Invariants of Labeled Molecular Graphs by Baskin, Igor I, Skvortsova, Mariya I, Stankevich, Ivan V, Zefirov, Nikolai S

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