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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Denisova L. T., Molokeev M. S., Kargin, Yu F., Irtyugo L. A., Belousova, N., V, Denisov V. M.
Заглавие : Synthesis, crystal structure, and thermodynamic properties of CuSm2Ge2O8
Коллективы : Siberian Federal University [FSRZ2020-0013]
Место публикации : Russ. J. Inorg. Chem. - 2021. - Vol. 66, Is. 12. - P.1817-1821. - ISSN 0036-0236, DOI 10.1134/S0036023621120020. - ISSN 1531-8613(eISSN)
Примечания : Cited References: 30. - This work was carried out with partial financial support within the framework of the State assignment for science of the Siberian Federal University, project number FSRZ2020-0013
Предметные рубрики: TEMPERATURE HEAT-CAPACITY
CU-O
PREDICTION
GERMANATES
GROWTH
Аннотация: Copper samarium germanate CuSm2Ge2O8 have been synthesized by the ceramic method from CuO, Sm2O3, and GeO2 in air at the final calcination temperature 1273 K (200 h), and its crystal structure has been determined (space group Cm; a = 9.7592(2) Å, b = 15.2608(4) Å, c = 8.2502(2) Å, β = 148.2566(8)°, V = 646.46(3) Å3). The temperature dependence of the molar heat capacity Cp = f(T) measured in the temperature range 350–1000 K shows a maximum at Tmax = 498.5 K caused by the phase transition. Thermodynamic properties have been calculated from experimental data.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gorban A., Popova T., Zinovyev A.
Заглавие : Codon usage trajectories and 7-cluster structure of 143 complete bacterial genornic sequences
Разночтения заглавия :авие SCOPUS: Codon usage trajectories and 7-cluster structure of 143 complete bacterial genomic sequences
Место публикации : Physica A: ELSEVIER SCIENCE BV, 2005. - Vol. 353. - P365-387. - ISSN 0378-4371, DOI 10.1016/j.physa.2005.01.043
Примечания : Cited References: 46
Предметные рубрики: DNA-BASE COMPOSITION
ASYMMETRIC SUBSTITUTION PATTERNS
PROTEIN-CODING REGIONS
MICROBIAL GENOMES
GENE IDENTIFICATION
MARKOV-MODELS
G+C CONTENT
BIAS
PREDICTION
SELECTION
Ключевые слова (''Своб.индексиров.''): genome--cluster--codon usage--correlations--entropy--mean field--cluster--codon usage--correlations--entropy--genome--mean field--approximation theory--correlation methods--database systems--entropy--functions--genes--mathematical models--clusters--codon usage--genomes--mean field--bacteria
Аннотация: Three results are presented. First, we prove the existence of a universal 7-cluster structure in all 143 completely sequenced bacterial genomes available in Genbank in August 2004, and explained its properties. The 7-cluster structure is responsible for the main part of sequence heterogeneity in bacterial genomes. In this sense, our 7 clusters is the basic model of bacterial genome sequence. We demonstrated that there are four basic "pure" types of this model, observed in nature: "parallel triangles", "perpendicular triangles", degenerated case and the flower-like type. Second, we answered the question: how big are the position-specific information and the contribution connected with correlations between nucleotide. The accuracy of the mean-field (context-free) approximation is estimated for bacterial genomes. We show that codon us-age of bacterial genomes is a multi-linear function of their genomic G+C-content with high accuracy (more precisely, by two similar functions, one for eubacterial genomes and the other one for archaea). Description of these two codon-usage trajectories is the third result. All 143 cluster animated 3D-scatters are collected in a database and is made available on our web-site: http://www.ihes.fr/similar to zinovyev/7clusters. (c) 2005 Elsevier B.V. All rights reserved.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Fedorov D. G., Sorokin P. B., Chernozatonskii L. A., Ovchinnikov S. G.
Заглавие : Quantum dots embedded into silicon nanowires effectively partition electron confinement
Коллективы :
Место публикации : J. Appl. Phys.: AMER INST PHYSICS, 2008. - Vol. 104, Is. 5. - Ст.54305. - ISSN 0021-8979, DOI 10.1063/1.2973464
Примечания : Cited References: 22. - This work was, in part, partially supported by a Core Research for Evolutional Science and Technology (CREST) grant in the area of high performance computing for multi-scale and multiphysics phenomena from the Japan Science and Technology Agency (JST) as well as by the Russian Fund of Basic Researches (Grant No. 05-02-17443) (L.A.C.). One of the authors (P.V.A.) acknowledges the encouragement of Dr. Keiji Morokuma, Research Leader at Fukui Institute. The geometry of all presented structures was visualized by ChemCraft software. SUP23/SUP L.A.C. acknowledges I. V. Stankevich for help and fruitful discussions. P.B.S. is grateful to the Joint Supercomputer Center of the Russian Academy of Sciences for access to a cluster computer for quantum-chemical calculations.
Предметные рубрики: OPTICAL-PROPERTIES
POROUS SILICON
WIRES
PREDICTION
GROWTH
Ключевые слова (''Своб.индексиров.''): electric currents--electric wire--electronic states--electronic structure--nanostructured materials--nanostructures--nanowires--nonmetals--optical waveguides--plasma confinement--quantum confinement--quantum electronics--semiconducting silicon compounds--silicon--electronic state--band gaps--electron confinements--electronic-structure calculations--embedded structures--quantum confinement effect--quantum dots--semi-empirical methods--silicon nanowires--silicon quantum dots--semiconductor quantum dots
Аннотация: Motivated by the experimental discovery of branched silicon nanowires, we performed theoretical electronic structure calculations of icosahedral silicon quantum dots embedded into pentagonal silicon nanowires. Using the semiempirical method, we studied the quantum confinement effect in the fully optimized embedded structures. It was found that (a) the band gaps of the embedded structures are closely related to the linear sizes of the longest constituting part rather than to the total linear dimension and (b) the discovered atypical quantum confinement with a plateau and a maximum can be attributed to the substantial interactions of near Fermi level electronic states of the quantum dots and nanowire segments. (c) 2008 American Institute of Physics.
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