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| 1. 
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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
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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| 2.
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Fedorov, A. S.
Ab-initio investigation of thermoactivated directional transport of hydrogen molecules inside narrow carbon nanotubes / A. S. Fedorov, A. F. Sadreev // Phys. Status Solidi B. - 2009. - Vol. 246: 23rd Winterschool on Electronic Properties of Novel Materials (MAR 14, 2009, Kirchberg, GERMANY), Is. 11. - P. 2598-2601, DOI 10.1002/pssb.200982285. - Cited References: 21. - A.S.Fedorov thanks the Institute of Computer Modeling (Krasnoyarsk, Russia) and the Joint Supercomputer Center (Moscow) for an assistence in quantum chemical calculations.
. - ISSN 0370-1972РУБ Physics, Condensed Matter
Рубрики:
DIFFUSION
ENERGY
Аннотация: Using the pseudopotential DFT and the empirical potential methods we calculate the potential acting to the hydrogen molecules in narrow single-wall carbon nanotubes (SWCNT) (6,0),(7,0) and (3,3). The potential forms a goffered potential surface and can be approximated as V(z, r, phi) approximate to V(0) sin(2 pi z/a) + V(r). We show that in these SWCNTs transport of molecules is given mainly by thermoactivated hoppings between minima of the periodic potential along the tube axis. Taking into account that hydrogen density distribution inside nanotube is stationary and assuming the temperature is changed linearly along the SWCNT length we show that the H(2) density is sufficiently variated, especially for the case of (6,0)SWCNT where the density on both SWCNT ends are different at similar to 30 times when the temperature is changed along the SWCNT from 300K to 1200K. Suppose that H2 molecules can penetrate in the both open SWCNT ends, the molecules would move in the direction of the temperature decreasing. This effect may be used potentially to build up a molecular pump driven by the temperature gradient along narrow nanotube. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
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Держатели документа:
[Fedorov, A. S.
Sadreev, A. F.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
[Fedorov, A. S.] Krasnoyarsk Railway Transport Inst, Krasnoyarsk 660028, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, 660036 Krasnoyarsk, Russian Federation
Krasnoyarsk Railway Transport Institute, 660028 Krasnoyarsk, Russian Federation
Доп.точки доступа:
Sadreev, A. F.; Садреев, Алмаз Фаттахович; Федоров, Александр Семенович
}
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| 3.
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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 1573-8779РУБ 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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| 4.
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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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| 5.
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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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| 6.
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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
Материалы конференции,
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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| 7.
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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
Материалы конференции,
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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| 8.
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Averyanov, E. M.
Character of the N-D-D-h(0,d) phase transition in diskotic liquid crystals / E. M. Averyanov // JETP Letters. - 1996. - Vol. 63, Is. 1. - P. 33-37, DOI 10.1134/1.566959. - Cited References: 20
. - ISSN 0021-3640РУБ Physics, Multidisciplinary
Рубрики:
MOLECULES
CONSTANTS
SPLAY
BEND
Аннотация: The first experimental data on the orientational ordering of a diskotic reentrant nematic N-D are presented. The data show that the phase transition N-D-D-h(0,D-d) is a strong first-order transition with a large jump Delta S similar or equal to 0.2 in the orientational order parameter S of the molecules. This indicates an anomalously strong coupling between the columnar and orientational ordering of the molecules and explains the absence of fluctuational divergence of the elastic moduli K-11 and K-22 in the nematic phase near this transition. (C) 1996 American Institute of Physics.
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Доп.точки доступа:
Aver'yanov, E. M.
}
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| 9.
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Characterizing aptamer interaction with the oncolytic virus VV-GMCSF-Lact / M. A. Dymova, D. O. Malysheva, V. K. Popova [et al.] // Molecules. - 2024. - Vol. 29, Is. 4. - Ст. 848, DOI 10.3390/molecules29040848. - Cited References: 46. - This study was supported by the Russian Science Foundation grant No. 22-64-00041, available online: https://rscf.ru/en/project/22-64-00041/ (accessed on 6 February 2024). This work was supported by the Russian state-funded project for ICBFM SB RAS (grant number 121030200173-6)
. - ISSN 1420-3049
Кл.слова (ненормированные):
aptamer -- oncolytic virus -- glioma -- dynamic light scattering -- microscale thermophoresis
Аннотация: Aptamers are currently being investigated for their potential to improve virotherapy. They offer several advantages, including the ability to prevent the aggregation of viral particles, enhance target specificity, and protect against the neutralizing effects of antibodies. The purpose of this study was to comprehensively investigate an aptamer capable of enhancing virotherapy. This involved characterizing the previously selected aptamer for vaccinia virus (VACV), evaluating the aggregation and molecular interaction of the optimized aptamers with the recombinant oncolytic virus VV-GMCSF-Lact, and estimating their immunoshielding properties in the presence of human blood serum. We chose one optimized aptamer, NV14t_56, with the highest affinity to the virus from the pool of several truncated aptamers and built its 3D model. The NV14t_56 remained stable in human blood serum for 1 h and bound to VV-GMCSF-Lact in the micromolar range (Kd ≈ 0.35 μM). Based on dynamic light scattering data, it has been demonstrated that aptamers surround viral particles and inhibit aggregate formation. In the presence of serum, the hydrodynamic diameter (by intensity) of the aptamer–virus complex did not change. Microscale thermophoresis (MST) experiments showed that NV14t_56 binds with virus (EC50 = 1.487 × 109 PFU/mL). The analysis of the amplitudes of MST curves reveals that the components of the serum bind to the aptamer–virus complex without disrupting it. In vitro experiments demonstrated the efficacy of VV-GMCSF-Lact in conjunction with the aptamer when exposed to human blood serum in the absence of neutralizing antibodies (Nabs). Thus, NV14t_56 has the ability to inhibit virus aggregation, allowing VV-GMCSF-Lact to maintain its effectiveness throughout the storage period and subsequent use. When employing aptamers as protective agents for oncolytic viruses, the presence of neutralizing antibodies should be taken into account.
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Держатели документа:
Institute of Chemical Biology and Fundamental Medicine, Siberian Branch of the Russian Academy of Sciences, Lavrentiev av. 8, 630090 Novosibirsk, Russia
Department of Natural Sciences, Novosibirsk State University, Pirogova str. 1, 630090 Novosibirsk, Russia
State Research Center of Virology and Biotechnology “Vector”, 630559 Koltsovo, Russia
Laboratory for Biomolecular and Medical Technologies, Krasnoyarsk State Medical University Named after Prof. V.F. Voyno-Yasenetsky, Partizana Zheleznyaka str. 1, 660022 Krasnoyarsk, Russia
Federal Research Center KSC SB RAS, 50 Akademgorodok, 660036 Krasnoyarsk, Russia
Kirensky Institute of Physics, 50/38 Akademgorodok, 660012 Krasnoyarsk, Russia
Доп.точки доступа:
Dymova, M. A.; Malysheva, D. O.; Popova, V. K.; Dmitrienko, E. V.; Endutkin, A. V.; Drokov, D. V.; Mukhanov, V. S.; Byvakina, A. A.; Kochneva, G. V.; Artyushenko, P. V.; Shchugoreva, I. A.; Rogova, A. V.; Tomilin, F. N.; Томилин, Феликс Николаевич; Kichkailo, A. S.; Richter, V. A.; Kuligina, E. V.
}
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| 10.
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Contribution of the multiplicity fluctuation in the temperature dependence of phonon spectra of rare-earth cobaltites / Y. S. Orlov, A. E. Sokolov, V. A. Dudnikov [et al.] // Molecules. - 2020. - Vol. 25, Is. 18. - Ст. 4316, DOI 10.3390/molecules25184316. - Cited References: 34. - This work was supported by the Russian Science Foundation grant 18-02-00022. The scanning electron microscopy investigations were conducted in the SFU Joint Scientific Center, supported by the State assignment (#FSRZ-2020-0011) of the Ministry of Science and Higher Education of the Russian Federation. The other research was carried out at the Krasnoyarsk Regional Center of Research Equipment of the Federal Research Center “Krasnoyarsk Science Center SB RAS”
. - ISSN 1420-3049
Кл.слова (ненормированные):
Rare-earth cobalt oxides -- Multiplicity fluctuations -- Phonon spectra
Аннотация: We have studied, both experimentally and theoretically, the unusual temperature dependence of the phonon spectra in NdCoO3, SmCoO3 and GdCoO3, where the Co3+ ion is in the low-spin (LS) ground state, and at the finite temperature, the high-spin (HS) term has a nonzero concentration nHS due to multiplicity fluctuations. We measured the absorption spectra in polycrystalline and nanostructured samples in the temperature range 3–550 K and found a quite strong breathing mode softening that cannot be explained by standard lattice anharmonicity. We showed that the anharmonicity in the electron–phonon interaction is responsible for this red shift proportional to the nHS concentration.
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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Доп.точки доступа:
Orlov, Yu. S.; Орлов, Юрий Сергеевич; Sokolov, A. Е.; Соколов, Алексей Эдуардович; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Shulga, K. V.; Volochaev, M. N.; Волочаев, Михаил Николаевич; Zharkov, S. M.; Жарков, Сергей Михайлович; Shestakov, N. P.; Шестаков, Николай Петрович; Vysotin, M. A.; Высотин, Максим Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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| 11.
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Critical increase of the bending fluctuations of molecules and the nematic-to-isotropic liquid-phase transition / E. M. Averyanov, V. A. Zhuikov, A. Ya. Korets [et al.] // JETP Letters. - 1980. - Vol. 31, Is. 9. - P. 480-483. - Cited References: 5
. - ISSN 0021-3640РУБ Physics, Multidisciplinary
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Доп.точки доступа:
Averyanov, E. M.; Аверьянов, Евгений Михайлович; Zhuikov, V. A.; Жуйков, Владимир Александрович; Korets, A. Ya.; Shabanov, V. F.; Шабанов, Василий Филиппович; Adomenas, P. V.
}
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| 12.
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Density-functional model cluster studies of EPR g tensors of F-s(+) centers on the surface of MgO / C. . Di Valentin [et al.] // J. Chem. Phys. - 2006. - Vol. 124, Is. 4. - Ст. 44708, DOI 10.1063/1.2161190. - Cited References: 37
. - ISSN 0021-9606РУБ Physics, Atomic, Molecular & Chemical
Рубрики:
ELECTRONIC G-TENSORS
CORRELATION-ENERGY
MGO(001) SURFACE
OXYGEN VACANCIES
SPIN-ORBIT
G-VALUES
ATOMS
APPROXIMATION
COMPLEXES
MOLECULES
Кл.слова (ненормированные):
Density-functional model cluster -- Single-crystalline thin films -- Spin-orbit interaction -- Anisotropy -- Paramagnetic resonance -- Single crystals -- Tensors -- Thin films -- Magnesium compounds
Аннотация: We report g tensors of surface color centers, so-called F-s(+) centers, of MgO calculated with two density-functional approaches using accurately embedded cluster models. In line with recent UHV measurements on single-crystalline MgO film, we determined only small g-tensor anisotropies and negative shifts Delta g equivalent to g-g(e) for all F-s(+) sites considered, namely, (001)-terrace, step, edge, and corner sites. The g values are very sensitive to the local structure of the defect: relaxation reverses the sign of Delta g. However, accounting for the spin-orbit interaction either self-consistently or perturbatively yields very similar results. In addition to the values of the tensor components, their direction with respect to the surface was determined. In contrast to edges, significant deviations from ideal C-2v symmetry were found for F-s(+) centers at steps. Recent data on single-crystalline thin films are reevaluated in the light of these results. (c) 2006 American Institute of Physics.
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Держатели документа:
ICREA, Barcelona 08010, Spain
Univ Barcelona & Parc Cientif Barcelona, Dept Quim Fis, Barcelona 08028, Spain
Univ Barcelona & Parc Cientif Barcelona, Ctr Especial Recerca Quim Teor, Barcelona 08028, Spain
Max Planck Gesell, Fritz Haber Inst, Dept Phys Chem, D-14195 Berlin, Germany
Russian Acad Sci, Inst Chem & Chem Technol, Krasnoyarsk 660049, Russia
Univ Milan Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy
Tech Univ Munich, Dept Chem Theoret Chem, D-85747 Garching, Germany
ИХХТ СО РАН
Dipartimento di Scienza dei Materiali, Universit? degli Studi Milano-Bicocca, 20125 Milano, Italy
Institucio Catalana de Recerca i Estudis Avanats (ICREA), 08010 Barcelona, Spain
Departament de Quimica Fisisca, Centre Especial de Recerca en Quimica Teorica, Parc Cientific de Barcelona, 08028 Barcelona, Spain
Fritz-Haber Institut, Max-Planck Gesellschaft, Department of Chemical Physics, Faradayweg 4-6, D-14195 Berlin, Germany
Institute of Chemistry and Chemical Technology, Russian Academy of Sciences, 660049 Krasnoyarsk, Russian Federation
Department Chemie, Theoretische Chemie, Technische Universitat Munchen, 85747 Garching, Germany
Доп.точки доступа:
Di Valentin, C.; Neyman, K. M.; Risse, T.; Sterrer, M.; Fischbach, E.; Freund, H. J.; Nasluzov, V. A.; Pacchioni, G.; Rosch, N.
}
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| 13.
|
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 1063-7834РУБ 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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| 14.
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Effect of multiplicity fluctuation in cobalt ions on crystal structure, magnetic and electrical properties of NdCoO3 and SmCoO3 / V. A. Dudnikov, Y. S. Orlov, L. A. Solovyov [et al.] // Molecules. - 2020. - Vol. 25, Is. 6. - Ст. 1301, DOI 10.3390/molecules25061301. - Cited References: 56. - This work is supported by the Russian Science Foundation grant 18-02-00022.
. - ISSN 1420-3049РУБ Biochemistry & Molecular Biology + Chemistry, Multidisciplinary
Рубрики:
SPIN-STATE TRANSITIONS
CO3+ ION
CONDUCTIVITY
TEMPERATURE
BEHAVIOR
Кл.слова (ненормированные):
rare-earth cobalt oxides -- multiplicity fluctuations -- structural -- magnetic -- electrical -- and dilatation properties
Аннотация: The structural, magnetic, electrical, and dilatation properties of the rare-earth NdCoO3 and SmCoO3 cobaltites were investigated. Their comparative analysis was carried out and the effect of multiplicity fluctuations on physical properties of the studied cobaltites was considered. Correlations between the spin state change of cobalt ions and the temperature dependence anomalies of the lattice parameters, magnetic susceptibility, volume thermal expansion coefficient, and electrical resistance have been revealed. A comparison of the results with well-studied GdCoO3 allows one to single out both the general tendencies inherent in all rare-earth cobaltites taking into account the lanthanide contraction and peculiar properties of the samples containing Nd and Sm.
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Держатели документа:
RAS, Kirensky Inst Phys, Fed Res Ctr KSC, SB, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660041, Russia.
RAS, Fed Res Ctr KSC, Inst Chem & Chem Technol, SB, Krasnoyarsk 660036, Russia.
Russian Acad Sci, Lebedev Phys Inst, Moscow 119991, Russia.
Russian Acad Sci, Ioffe Inst, St Petersburg 194021, Russia.
Доп.точки доступа:
Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Orlov, Yu. S.; Орлов, Юрий Сергеевич; Solovyov, Leonid A.; Vereshchagin, Sergey N.; Gavrilkin, Sergey Yu.; Tsvetkov, Alexey Yu.; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Gorev, M. V.; Горев, Михаил Васильевич; Novikov, Sergey V.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Russian Science FoundationRussian Science Foundation (RSF) [18-02-00022]
}
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| 15.
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Electrically induced structural transformations of a chiral nematic under tangential-conical boundary conditions / D. A. Kostikov, M. N. Krakhalev, O. O. Prishchepa, V. Ya. Zyryanov // Molecules. - 2023. - Vol. 28, Is. 23. - Ст. 7842, DOI 10.3390/molecules28237842. - Cited References: 30
. - ISSN 1420-3049
Перевод заглавия: Электрически индуцированные трансформации структур хирального нематика с тангенциально-коническими граничными условиями
Кл.слова (ненормированные):
chiral nematic -- cholesteric -- conical anchoring -- polymethacrylate -- director tilt angle -- electrically induced transformation -- orientational structure -- polarizing optical microscopy
Аннотация: In this study, structural transformations induced by an electric field in the chiral nematic under tangential-conical boundary conditions have been considered. The composition influence of the orienting polymer films on the director tilt angles, the formation of orientational structures in the LC layer, as well as the electro-optical response and relaxation processes have been studied. It has been shown that the poly(tert-butyl methacrylate) concentration change in the orienting polymer mixture allows for smoothly controlling the director tilt angle without fixing its azimuthal orientation rigidly.
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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Institute of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk 660041, Russia
Доп.точки доступа:
Kostikov, D. A.; Костиков, Денис Андреевич; Krakhalev, M. N.; Крахалев, Михаил Николаевич; Prishchepa, O. O.; Прищепа, Оксана Олеговна; Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич
}
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| 16.
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Electron-rotation coupling in diatomics under strong-field excitation / Y. R. Liu, Y. Wu, J. G. Wang [et al.] // Phys. Rev. A. - 2020. - Vol. 102, Is. 3. - Ст. 033114, DOI 10.1103/PhysRevA.102.033114. - Cited References: 78. - S.B.Z. thanks H. D. Meyer for his helpful instructions of Wigner-DVR in MCTDH. Grants from the National Basic Research Program of China (2017YFA0403200), NSFC (No. 11604197, No. 11974230, and No. 11934004), the Science Challenge Program of China (TZ2018005 and TZ2016005) are acknowledged. V.K. acknowledges financial support from Swedish Research Council (VR) and the Ministry of Science and High Education of Russian Federation, Project No. FSRZ2020-0008.
. - ISSN 2469-9926. - ISSN 2469-9934РУБ Optics + Physics, Atomic, Molecular & Chemical
Рубрики:
REAL-TIME OBSERVATION
DYNAMICS
LASER
ULTRAFAST
MOLECULES
Аннотация: he photoexcitation and photodissociation of diatomic molecules by intense pulse lasers has been the subject of extensive investigations over the past decades. However, the usually employed theoretical framework neglects the coupling between the molecular rotational angular momentum (R) and the angular momentum of the electrons projected onto the molecular axis Ω=Λ+Σ, which results in the known Λ-doubling phenomenon in high-resolution electronic spectra of diatomic molecules. While neglecting this coupling is an excellent approximation in the weak-field or perturbative regime owing to the large mass difference between the rotating atoms and the electrons, the approximation breaks down for intense laser pulses because of the repeated Rabi cycling of the electronic transitions, which can have a significant effect on the rotational degrees of freedom of the molecule. By correcting the transition dipole matrix elements and introducing angular basis sets based on Wigner D functions, the conventional theoretical treatment is generalized to a universal description valid for both the weak- and strong-field regimes. The theoretical treatment developed here is applied to the ∣1Σ› to ∣1Π› transitions in diatomic systems. Our results reveal that, for field intensities resulting in about one Rabi cycling for extreme ultraviolet or x-ray transitions, the theoretical predictions by the conventional theoretical frame need to be corrected when considering observables such as the molecular alignment and the angular distribution of the photofragments.
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Держатели документа:
Shaanxi Normal Univ, Sch Phys & Informat Technol, Xian 710119, Peoples R China.
Inst Appl Phys & Computat Math, POB 8009, Beijing 100088, Peoples R China.
Peking Univ, Ctr Appl Phys & Technol, Beijing 100084, Peoples R China.
Heidelberg Univ, Phys Chem Inst, Theoret Chem, Neuenheimer Feld 229, D-69120 Heidelberg, Germany.
Royal Inst Technol, Theoret Chem & Biol, S-10691 Stockholm, Sweden.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Доп.точки доступа:
Liu, Yan Rong; Wu, Yong; Wang, Jian Guo; Vendrell, Oriol; Kimberg, V.; Кимберг, Виктор Валерьевич; Zhang, Song Bin
}
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| 17.
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Аверьянов, Евгений Михайлович.
Erratum: «Комплексные показатели преломления и ориентационный порядок молекул в органических пленках с вакуумным напылением» [Жидк. крист. и их практич. использ. 2021, Т. 21, № 2, С. 82–91. DOI: 10.18083/LCAppl.2021.2.82] / Е. М. Аверьянов // Жидк. крист. и их практич. использ. - 2022. - Т. 22, № 2. - С. 85-85 ; Liq. Cryst. Appl. ; Zidk. Krist. Prakt. Ispol'z., DOI 10.18083/LCAppl.2022.2.85
. - ISSN 1991-3966
Перевод заглавия: Erratum: “Complex refractive indices and orientation order of molecules in vacuum-deposited organic films” (Journal Liquid Crystals and their Application, (2021) 21(2), (82–91) (10.18083/LCAppl.2021.2.82))
Аннотация: На стр. 84 в формулах (7) – (9) и двух строках перед формулами (12) следует 3hjaj3 заменить на hj3aj3. Эти опечатки не влияют на остальное содержание статьи.
On the page 84, in the equations (7) – (9) and two lines before equations (12), the expression 3hjaj3 should be changed by hj3aj3. These misprints do not influence on the rest contents of the article.
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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 50 Akademgorodok, building No 38, Krasnoyarsk, 660036, Russian Federation
Доп.точки доступа:
Aver'yanov, E. M.
}
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| 18.
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Gerasimova, J. V.
Evans hole in internal modes IR spectrum of WO3F33-ions in (NH4)(3)WO3F3 crystal / J. V. Gerasimova, A. N. Vtyurin // Chem. Phys. Lett. - 2012. - Vol. 523. - P. 144-147, DOI 10.1016/j.cplett.2011.12.041. - Cited References: 11. - We would like to thank Prof. E. M. Aver'yanov for discussion, and V. A. Ouskin for the technical assistance. This work has been supported by the Russian Foundation for Basic Researches, Grant No. 11-02-98002-r_sibir_a.
. - ISSN 0009-2614РУБ Chemistry, Physical + Physics, Atomic, Molecular & Chemical
Рубрики:
INFRARED-SPECTRA
PHASE-TRANSITIONS
OXYFLUORIDE
MOLECULES
Аннотация: Infrared absorption of (NH4)(3)WO3F3 compound has been studied. Profile of asymmetric band in 600-1000 cm (1) range associated with polar W-O vibrations of WO3F33- ions is explicable on the basis of multi-oscillatory dynamics with account of damping. Complex profile with Evans holes proves that internal modes of WO3F33- anions in the fluorine-oxygen octahedron interact due to the effects of the local field. (C) 2011 Elsevier B. V. All rights reserved.
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Держатели документа:
[Gerasimova, Ju V.
Vtyurin, A. N.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Доп.точки доступа:
Vtyurin, A. N.; Втюрин, Александр Николаевич; Герасимова, Юлия Валентиновна
}
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| 19.
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Exploration of the crystal structure and thermal and spectroscopic properties of monoclinic praseodymium sulfate Pr2(SO4)3 / Y. G. Denisenko, V. V. Atuchin, M. S. Molokeev [et al.] // Molecules. - 2022. - Vol. 27, Is. 13. - Ст. 3966, DOI 10.3390/molecules27133966. - Cited References: 95. - This research was funded by the Russian Science Foundation (project 21-19-00046, in part of conceptualization). Some parts of the experiments were performed in the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS”
. - ISSN 1420-3049
Перевод заглавия: Исследование кристаллической структуры, термических и спектроскопических свойств моноклинного сульфата празеодима Pr2(SO4)3
Кл.слова (ненормированные):
praseodymium sulfate -- crystal structure -- thermal analysis -- thermal expansion anisotropy -- photoluminescence -- band structure -- vibrational properties
Аннотация: Praseodymium sulfate was obtained by the precipitation method and the crystal structure was determined by Rietveld analysis. Pr2(SO4)3 is crystallized in the monoclinic structure, space group C2/c, with cell parameters a = 21.6052 (4), b = 6.7237 (1) and c = 6.9777 (1) Å, β = 107.9148 (7)°, Z = 4, V = 964.48 (3) Å3 (T = 150 °C). The thermal expansion of Pr2(SO4)3 is strongly anisotropic. As was obtained by XRD measurements, all cell parameters are increased on heating. However, due to a strong increase of the monoclinic angle β, there is a direction of negative thermal expansion. In the argon atmosphere, Pr2(SO4)3 is stable in the temperature range of T = 30–870 °C. The kinetics of the thermal decomposition process of praseodymium sulfate octahydrate Pr2(SO4)3·8H2O was studied as well. The vibrational properties of Pr2(SO4)3 were examined by Raman and Fourier-transform infrared absorption spectroscopy methods. The band gap structure of Pr2(SO4)3 was evaluated by ab initio calculations, and it was found that the valence band top is dominated by the p electrons of oxygen ions, while the conduction band bottom is formed by the d electrons of Pr3+ ions. The exact position of ZPL is determined via PL and PLE spectra at 77 K to be at 481 nm, and that enabled a correct assignment of luminescent bands. The maximum luminescent band in Pr2(SO4)3 belongs to the 3P0 → 3F2 transition at 640 nm.
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Держатели документа:
Department of Inorganic and Physical Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation
Department of General and Special Chemistry, Industrial University of Tyumen, Tyumen, 625000, Russian Federation
Institute of Inorganic and Analytical Chemistry, Justus-Liebig-University Giessen, Giessen, 35392, Germany
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Department of Applied Physics, Novosibirsk State University, Novosibirsk, 630090, 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 Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
School of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Laboratory of Coherent Optics, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Institute of Automation and Electrometry, Russian Academy of Sciences, Novosibirsk, 630090, Russian Federation
Research Department, Northern Trans-Ural Agricultural University, Tyumen, 625003, Russian Federation
Center for Materials Research (LaMa), Justus-Liebig-University Giessen, Giessen, 35392, Germany
Доп.точки доступа:
Denisenko, Y. G.; Atuchin, V. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sedykh, A. E.; Khritokhin, N. A.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Shestakov, N. P.; Шестаков, Николай Петрович; Adichtchev, S. V.; Pugachev, A. M.; Sal’nikova, E. I.; Andreev, O. V.; Razumkova, I. A.; Muller-Buschbaum, K.
}
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| 20.
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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 1063-7834РУБ 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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