Search Results - "Danilenko, T. N."
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MODELING THE TETRAETHYLSILANE ELECTRONIC STRUCTURE USING DENSITY FUNCTIONAL THEORY AND PHOTOELECTRON SPECTROSCOPY DATA
Published in Journal of structural chemistry (01-07-2020)“…Electronic structure and interatomic interactions in Si(C 2 H) 4 are simulated using density functional theory and are compared with experimental photoelectron…”
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A Study of Electronic Structure of Diethyldiphenylsilane by X-Ray Emission Spectroscopy and Density Functional Theory Methods
Published in Russian journal of general chemistry (01-11-2019)“…X-Ray spectroscopy and DFT study of the electronic structure and chemical bonds of the silicon atom and its surrounding in the molecule of (HC=C) 2 SiPh 2 has…”
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X-ray emission spectroscopy and theoretical study of the electronic structure of hexamethyldisiloxane and octamethylcyclotetrasiloxane
Published in Russian journal of general chemistry (01-05-2017)“…Electronic structure of hexamethyldisiloxane and octamethylcyclotetrasiloxane has been studied by means of X-ray emission spectroscopy and quantum-chemical…”
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An X-ray spectral and theoretical study of the electronic structure and features of interatomic interactions in phenoxysilanes
Published in Russian journal of general chemistry (01-10-2016)“…The electronic structure and features of interatomic interactions providing the Si–O–C 6 H 5 bonds in H 4- n Si(OC 6 H 5 ) n ( n = 1–4) were studied by a…”
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Electronic structure and features of interatomic interactions in methoxysilanes H n Si(OCH3)4–n
Published in Russian journal of general chemistry (01-09-2016)“…The electronic structure and features of interatomic interactions in a series of methoxysilanes HnSi(OCH3)4–n (n = 3–0) were studied via density functional…”
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Investigating the electronic structure of tetramethylsilane by means of X-ray spectroscopy and theoretical calculations
Published in Bulletin of the Russian Academy of Sciences. Physics (01-11-2015)“…The electronic structure of a tetramethylsilane molecule Si(CH 3 ) 4 is studied via X-ray fluorescence spectroscopy and simulations based on the density…”
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Electronic structure of SiO2: An X-ray emission spectroscopic and density functional theoretical study
Published in Bulletin of the Russian Academy of Sciences. Physics (01-06-2016)“…The electronic structure of SiO 2 is investigated by means of valence to core X-ray emission spectroscopy and quantum-mechanical calculations in the density…”
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Study of the A ion effect on the chemical bond of Ti and O ions in ATiO3 (A = Sr, Ba, Ca, Pb) crystals with perovskite structure
Published in Bulletin of the Russian Academy of Sciences. Physics (01-08-2009)“…The local Ti d densities of states in the valence band have been calculated in clusters of A TiO 3 ( A = Ca, Sr, Ba, Pb) crystals with perovskite structure by…”
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Effect of the core hole potential on the K-edge absorption and emission spectra of silicon and oxygen atoms in a quartz crystal
Published in Bulletin of the Russian Academy of Sciences. Physics (01-04-2008)“…The K -edge absorption and emission spectra of silicon and oxygen atoms in a quartz crystal have been calculated by the full multiple scattering method…”
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X-Ray Spectral and Theoretical Study of Electronic Structure and Features of Interatomic Interactions in Phenylaminosilanes HnSi(NHC6H5)4–n (n = 3–0)
Published in Russian journal of general chemistry (01-08-2018)“…Electronic structure and features of interatomic interactions in a series of phenylaminosilanes H n Si(NHC 6 H 5 ) 4– n ( n = 3–0) have been studied by means…”
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X-Ray Spectral and Theoretical Study of Electronic Structure and Features of Interatomic Interactions in Phenylaminosilanes H n Si(NHC6H5)4–n (n = 3–0)
Published in Russian journal of general chemistry (01-01-2018)“…Electronic structure and features of interatomic interactions in a series of phenylaminosilanes HnSi(NHC6H5)4–n (n = 3–0) have been studied by means of…”
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Synthesis, structural, spectral studies, and DFT calculations of a series of mixed ligand complexes of a tridentate N, N, S pyrazole based aldimine and 2,2′-bipyridine. The first example of structurally characterized dimeric cadmium(II) adduct with unusual μ2-Osulfonamido bridges
Published in Polyhedron (01-11-2020)“…Cu(II), Ni(II), Zn(II), and Cd(II) mono- and binuclear mixed ligand complexes based on the tridentate N, N, S Schiff base and bipy were synthesized and fully…”
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Electronic structure and features of interatomic interactions in methoxysilanes HnSi(OCH3)4–n
Published in Russian journal of general chemistry (01-09-2016)“…The electronic structure and features of interatomic interactions in a series of methoxysilanes H n Si(OCH 3 ) 4– n ( n = 3–0) were studied via density…”
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X-Ray spectral and theoretical investigations of the electronic structure of phenylcyclosilanes (SiPh2)n (n = 4–6)
Published in Physics of the solid state (01-12-2013)“…The X-ray emission Si K α 1, 2 and Si K β 1 spectra of a series of phenylcyclosilanes (SiPh 2 ) n ( n = 4–6) have been obtained. Using the results of…”
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X-ray spectral and theoretical investigations of the electronic structure of phenylcyclosilanes
Published in Physics of the solid state (01-12-2013)“…The X-ray emission SiK[α.sub.1,2] and SLSTPi spectra of a series of phenylcyclosilanes [(Si[Ph.sub.2]).sub.n] (n = 4-6) have been obtained. Using the results…”
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A study of the electronic structure of phenylsilanes by X-ray emission spectroscopy and quantum chemical calculation methods
Published in Journal of structural chemistry (01-09-2012)“…The electronic structure of a series of phenylsilanes Ph 4− n SiH n ( n = 0–3) is studied by X-ray emission spectroscopy and quantum chemical calculations by…”
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Investigation of the electronic structure of diphenylsilane using the density functional theory method and X-ray emission spectroscopy
Published in Physics of the solid state (01-10-2012)“…The electronic structure of diphenylsilane Ph 2 SiH 2 has been investigated using X-ray emission spectroscopy and quantum-chemical calculations in the…”
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