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Ab-initio investigation of thermoactivated directional transport of hydrogen molecules inside narrow carbon nanotubes / A. S. Fedorov, A. F. Sadreev // Physica status solidi B - Basic Solid State Physics. - 2009. - Т. 246, № 11-12. - P. 2598-2601, DOI 10.1002/pssb.200982285 . - ISSN 0370-1972. - ISSN 1521-3951

ГРНТИ

РИНЦ
Держатели документа:
Kirensky Institute of Physics,Siberian Division,Russian Academy of Sciences
Krasnoyarsk Railway Transport Institute
Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Sadreev, A. F.; Садреев, Алмаз Фаттахович
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Action of the atomic and electronic structure of pheromone molecules on the effectiveness of communication in xylophagous insects / P. V. Artyushenko [et al.] // J. Struct. Chem. - 2016. - Vol. 57, Is. 2. - P. 287-293, DOI 10.1134/S0022476616020074. - Cited References:27. - This work was supported by RFBR projects Nos. 13-04-00375 and16-04-00132. . - ISSN 0022-4766. - ISSN 1573-8779

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
Monochamus-galloprovincialis coleoptera
   Density-functional theories
   Beetle Ips-typographus
   Pine sawyer beetle
   Aggregation pheromone
   Cerambycidae
   Attraction
   Components
   Attack
   Set
Кл.слова (ненормированные):
atomic and electronic structure -- functional density methods -- absorption -- spectra -- excited states -- xylophages -- pheromones
Аннотация: The B3LYD /6-31(p,d) density functional method is applied to pheromones of the forest xylophagous insects Ips typographus L., Monochamus urussovi Fisch., and Monochamus galloprovincialis Oliv. to calculate the absorption spectra and find excited states. The calculated results are used to assess the possible activity of the molecules when they are affected by solar radiation.

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Публикация на русском языке Влияние атомной и электронной структуры молекул феромонов на эффективность коммуникации насекомых-ксилофагов [Текст] / П. В. Артюшенко [и др.] // Журн. структ. химии. - 2016. - Т. 57 № 2. - С. 304-310

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk, Russia.
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Siberian Branch, KSC Presidium, Int Res Ctr Studies Extreme States Organism, Krasnoyarsk, Russia.
Russian Acad Sci, Siberian Branch, Sukachev Inst Forest, Krasnoyarsk, Russia.

Доп.точки доступа:
Artyushenko, P. V.; Артюшенко, Полина Владимировна; Tomilin, F. N.; Томилин, Феликс Николаевич; Kuzubov, A. A.; Кузубов, Александр Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Tsikalova, P. E.; Ovchinnikova, T. M.; Soukhovolsky, V. G.; RFBR [13-04-00375, 16-04-00132]
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    Anisotropic thermal expansion and electronic structure of LiInSe2 / V. V. Atuchin, L. I. Isaenko, S. I. Lobanov [et al.] // Molecules. - 2022. - Vol. 27, Is. 16. - Ст. 5078, DOI 10.3390/molecules27165078. - Cited References: 65. - This work was partly supported by the Ministry of Education and Science of the Russian Federation (grant FSUS-2020-0036), state assignment of IGM SB RAS (preliminary crystal charge composition analysis), Russian Science Foundation (grants #19-12-00085-P, crystal growth, and 21-19-00046, conceptualization), National Scientific Foundations of China (Grants 51702330, 11974360 and 51872297), the Young Elite Scientist Sponsorship Program by CAST (YESS), and the CAS Project for Young Scientists in Basic Research (Grants YSBR-024) and the Government of the Russian Federation (075-15-2022-1132). The XPS measurements were carried out at the Surface Analysis Laboratory of the University of New South Wales, Sydney, Australia . - ISSN 1420-3049
   Перевод заглавия: Тепловое расширение и электронная структура LiInSe2
Кл.слова (ненормированные):
LiInSe2 -- crystal growth -- thermal expansion -- band structure -- XPS -- DFT
Аннотация: Optical quality cm-sized LiInSe2 crystals were grown using the Bridgman–Stockbarger method, starting from pure element reagents, under the conditions of a low temperature gradient of 5–6 degrees/cm and a slight melt overheating. The phase purity of the grown crystal was verified by the powder XRD analysis. The thermophysical characteristics of LiInSe2 were determined by the XRD measurements in the temperature range of 303–703 K and strong anisotropy of the thermal expansion coefficients was established. The following values of thermal expansion coefficients were determined in LiInSe2: αa = 8.1 (1), αb = 16.1 (2) and αc = 5.64 (6) MK−1. The electronic structure of LiInSe2 was measured by X-ray photoelectron spectroscopy. The band structure of LiInSe2 was calculated by ab initio methods.

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Держатели документа:
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation
Department of Applied Physics, Novosibirsk State University, Novosibirsk, 630090, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Department of Industrial Machinery Design, Novosibirsk State Technical University, Novosibirsk, 630073, Russian Federation
R&D Center "Advanced Electronic Technologies", Tomsk State University, Tomsk, 634034, Russian Federation
Laboratory of Crystal Growth, Sobolev Institute of Geology and Mineralogy, SB RAS, Novosibirsk, 630090, Russian Federation
Laboratory of Functional Materials, Novosibirsk State University, Novosibirsk, 630090, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radioelectronic, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport UniversityKhabarovsk 680021, Russian Federation
Australian Science and Technology Organisation (ANSTO), Lucas Heights, Australia
Functional Crystals Laboratory, Technical Institute of Physics and Chemistry, Chinese Academy of SciencesBeijing 100190, China
University of the Chinese Academy of SciencesBeijing 100049, China

Доп.точки доступа:
Atuchin, V. V.; Isaenko, L. I.; Lobanov, S. I.; Goloshumova, A. A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhang, Z.; Zhang, X.; Jiang, X.; Lin, Z.
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Aver'yanov, E. M.
Change in the polarizability of MBBA molecules upon the nematic-isotropic liquid transition and physical consequences / E. M. Aver'yanov // Phys. Solid State. - 2013. - Vol. 55, Is. 10. - P. 2136-2141, DOI 10.1134/S106378341310003X . - ISSN 1063-7834
Аннотация: The Lorentz tensor components Lj and the polarizability tensor components ?j of 4-methoxyben-zylidene-4?-butylaniline (MBBA) liquid crystal molecules in nematic and isotropic phases have been determined experimentally. The quadratic dependences of the mean value ?(S) and anisotropy ??(S) of the polarizability in the nematic phase on the orientational order parameter S of molecules have been established. Within the phenomenological approach, the dependences ?(S) and ??(S) have been derived, and their features for MBBA and other known objects have been interpreted. The relation of the dependences ?(S) and ??(S) to the features of the nematic-isotropic liquid phase transition has been found. В© 2013 Pleiades Publishing, Ltd.

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Публикация на русском языке Аверьянов, Евгений Михайлович. Изменение поляризуемости молекул МВВА при переходе нематик-изотропная жидкость и физические следствия / Е. М. Аверьянов // Физика твердого тела. - 2013. - Т. 55, вып. 10. - С. 2020-2025

Доп.точки доступа:
Аверьянов, Евгений Михайлович
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Aver'yanov, E. M.
Change in the polarizability of molecules at the phase transitions isotropic liquid -nematic - smectic-A - crystal-B in liquid crystal 4О.8 / E. M. Aver'yanov // 14th Eur. Conf. Liq. Cryst. (ECLC) : conf. programme / чл. нац. орг. и прогр. ком. V. Ya. Zyryanov. - 2017. - Ст. P3. - Библиогр.: . - Poster

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Материалы конференции
Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Zyryanov, V. Ya. \чл. нац. орг. и прогр. ком.\; Зырянов, Виктор Яковлевич; Аверьянов, Евгений Михайлович; European Conference on Liquid Crystals(14 ; 2017 ; June ; 25-30 ; Moscow); Московский государственный университет им. М.В. Ломоносова
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Aver'yanov, E. M.
Change in the spectrum of the polarizability density of molecules at the smectic-A - crystal-B phase transition / E. M. Aver'yanov // 14th Eur. Conf. Liq. Cryst. (ECLC) : conf. programme / чл. нац. орг. и прогр. ком. V. Ya. Zyryanov. - 2017. - Ст. P4. - Библиогр.: . - Poster

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Материалы конференции

Доп.точки доступа:
Zyryanov, V. Ya. \чл. нац. орг. и прогр. ком.\; Зырянов, Виктор Яковлевич; Аверьянов, Евгений Михайлович; European Conference on Liquid Crystals(14 ; 2017 ; June ; 25-30 ; Moscow); Московский государственный университет им. М.В. Ломоносова
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Aver'yanov, E. M.
Dimension of mesogenic molecules as atomic clusters / E. M. Aver'yanov // Phys. Solid State. - 2005. - Vol. 47, Is. 2. - P. 378-389, DOI 10.1134/1.1866424. - Cited References: 19 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
LIQUID-CRYSTAL CHEMISTRY
ORIENTATIONAL ORDER
TRANSITION
Аннотация: The problem regarding the mass dimension D of mesogenic molecules as atomic clusters is formulated and solved using computer simulation and analytical calculations. For a large number of compounds belonging to different chemical classes, it is shown that the cores of discotic lacunar (rodlike, lathlike) molecules forming nematic or columnar discotic (calamitic) phases have a fractional dimension 1 D-c 2 (D-c approximate to 1). The dependences of the dimension D-c on the symmetry, the conformation, and the structural-chemical features of the molecular core are determined. It is demonstrated that, in the region of side flexible chains in molecules of both types, the dimension D-ch can be either smaller or larger than unity, depending on the chain conformation. An analytical expression accounting for the results of numerical experiments is obtained for the dimension D-ch. (C) 2005 Pleiades Publishing, Inc.

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Держатели документа:
Russian Acad Sci, Siberian Div, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Аверьянов, Евгений Михайлович
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Aver'yanov, E. M.
Fluctuations of orientational order in a uniaxial nematic liquid crystal with biaxial molecules and its response to an external field / E. M. Aver'yanov // Phys. Solid State. - 2003. - Vol. 45, Is. 5. - P. 990-1001, DOI 10.1134/1.1575350. - Cited References: 30 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
PHASE-TRANSITION
   SMECTIC-A
   PARTICLES
   SYSTEM
   LANDAU
   MODEL
Аннотация: Homogeneous thermal fluctuations of the orientational order parameters S and G of biaxial molecules in a uniaxial nematic liquid crystal are investigated in the framework of the molecular-statistical theory. It is demonstrated that the molecular biaxiality significantly affects the order parameters S and G, their temperature dependences in the nematic phase, the amplitude and the temperature dependence of the order parameter fluctuations in the nematic and isotropic phases, and the character of the transition from the nematic phase to the isotropic liquid phase. It is established that the fluctuations of the parameters S and G in the nematic phase are related to the temperature dependences of S and G and the susceptibilities chi(S) and chi(G) of the nematic liquid crystal to external fields, which leads to a change in the parameters S and G at a fixed director orientation. Explanations are offered for the known experimental data on the orientational ordering of biaxial molecules under the action of external fields in the isotropic phase of nematic liquid crystals. (C) 2003 MAIK "Nauka/Interperiodica".

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Аверьянов, Евгений Михайлович
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Aver'yanov, E. M.
Influence of nematic and smectic orders on polarizability of molecules of ethyl-p-(4-ethoxybenzylideneamino-)alpha-methyl cinnamate liquid crystals / E. M. Aver'yanov // Phys. Solid State. - 2013. - Vol. 55, Is. 11. - P. 2391-2396, DOI 10.1134/S1063783413110048. - Cited References: 16 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
TRANSITION
MBBA
Аннотация: Experimental values of the polarizability tensor gamma components of molecules of ethyl-p-(4-ethoxybenzylideneamino-)alpha-methyl cinnamate liquid crystals in the nematic and smectic A phases have been obtained. Quadratic dependences of the longitudinal, gamma (l) , and transverse, gamma (t) , components, the mean value , and anisotropy Delta gamma in both phases have been established as functions of the orientational order parameter S of molecules in a maximally wide range of S. The nematic-smectic A phase transition with a continuous variation of S manifests itself as kinks in the linear dependences of , Delta gamma, and gamma (l) on S (2) and does not influence the dependence gamma (t) (S (2)). The observed dependences have been derived in the framework of the theory of the nematic-smectic A phase transition. The factors responsible for different influences of the orientational and positional orderings of molecules on the polarizability parameters have been determined.

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Публикация на русском языке Аверьянов, Евгений Михайлович. Влияние нематического и смектического порядка на поляризуемость молекул жидкого кристалла этил-p-(4-этоксибензилиденамино-)α-метилциннамата / Е. М. Аверьянов // Физика твердого тела. - 2013. - Т. 55, вып. 11. - С. 2271-2275

Доп.точки доступа:
Аверьянов, Евгений Михайлович
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10.

Aver'yanov, E. M.
Local-Field Anisotropy of a Light Wave in Quasi-Two-Dimensional Soft-Matter Objects / E. M. Aver'yanov // J. Exp. Theor. Phys. - 2010. - Vol. 110, Is. 4. - P. 622-636, DOI 10.1134/S1063776110040102. - Cited References: 73. - This study was supported by the Presidium of the Russian Academy of Sciences within the Program of Basic Research (project no. 27.1) and the Siberian Branch of the Russian Academy of Sciences within the Program of Interdisciplinary Basic Research (project no. 5). . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
INTEGRATED OPTICAL TECHNIQUES
   LANGMUIR-BLODGETT-FILMS
   SMECTIC LIQUID-CRYSTALS
   UNIAXIAL POLYMER-FILMS
   MOLECULAR-ORIENTATION
   INTERNAL FIELD
   DIELECTRIC-CONSTANT
   SPECTRAL FEATURES
   REFRACTIVE-INDEX
   THIN-FILMS
Кл.слова (ненормированные):
Anisotropic films -- Bilayer lipid membrane -- Chemical structure -- Comblike polymers -- Conductive Polymer -- Discotics -- Dispersion of refractive index -- Experimental data -- Experimental values -- Hexatic-B phase -- Isotropization -- Langmuir films -- Light wave -- Lorentz -- Macromolecular polymers -- Model approach -- Molecular polarizabilities -- Optical axis -- Order parameter -- Orientational order parameters -- Orientational orderings -- Orientational orders -- Smectic layers -- Smectic-A -- Smectics -- Soft matter -- Structural unit -- Sub-micron films -- Substrate types -- Tensor components -- Visible range -- Anisotropy -- Cell membranes -- Conductive plastics -- Conjugated polymers -- Electronic structure -- Light measurement -- Liquid crystal polymers -- Molecules -- Multilayer films -- Organic polymers -- Phase transitions -- Polarization -- Polymers -- Refractive index -- Substrates -- Tensors -- Two dimensional -- Conductive films
Аннотация: Experimental values of the Lorentz tensor components L-j for uniaxial quasi-two dimensional "soft matter" objects on substrates (bilayer lipid membranes, multilayer Langmuir films, smectics A, hexatic smectics B, submicron films of discotics Col(hd), micron anisotropic films of liquid-crystal comblike polymers and macromolecular polymers, submicron films of conjugated conductive polymers), freely suspended sub-micron films of smectics A, and uniaxially stretched micron films of conjugated conductive polymers have been determined using dispersion of refractive indices in the visible range. The dependences of the components L-j on the type of orientation (axial, planar) of uniaxial molecules (structural units of the film) with respect to the optical axis of the film, the film thickness, the substrate type, the chemical structure of molecules, and their long-range orientational order are established. It is revealed that the smectic A-hexatic B phase transition and two-dimensional crystallization of the smectic layer lead to changes in the components L-j due to the change in the orientational ordering of molecules as a result of the relation between the orientational and hexatic order parameters. All the above objects are characterized by isotropization of the Lorentz tensor L and the local-field tensor f with a simultaneous decrease in the birefringence of the sample and in the anisotropy of the molecular polarizability due to the change in the electronic structure of molecules. The correction for the anisotropy of the local-field tensor f to the orientational order parameter or the anisotropy of the molecular polarizability increases. The existing model approaches to calculating the components L-j for the objects under consideration are compared with the experimental data.

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Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Аверьянов, Евгений Михайлович
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