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    Val'kov, V. V.
    Effect of spin-flip processes on the Josephson current through a layer containing spin dimers / V. V. Val'kov, S. V. Aksenov // Int. conf. "Spin physics, spin chem., and spin technol.". - 2015. - P. 44. - Библиогр.: 3 назв.
   Перевод заглавия: Влияние спин-флип процессов на джозефсоновский ток через прослойку спиновых димеров

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Доп.точки доступа:
Aksenov, S. V.; Аксенов, Сергей Владимирович; Вальков, Валерий Владимирович; "Spin physics, spin chemistry, and spin technology", Internnational conference(2015 ; jun. ; 1-5 ; Saint Peterburg); Физико-технический институт им. А.Ф. Иоффе РАН; Казанский физико-технический институт им. Е. К. Завойского Казанского научного центра РАН"Инно-мир", центр межрегионального инновационного развития
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Surface plasmon resonances in liquid metal nanoparticles / A. E. Ershov [et al.] // Appl. Phys. B. - 2017. - Vol. 123, Is. 6. - Ст. 182, DOI 10.1007/s00340-017-6755-2. - This work was performed within the State contract of the RF Ministry of Education and Science for Siberian Federal University for scientifc research in 2017–2019. The numerical calculations were performed using the MVS-1000 M cluster at the Institute of Computational Modeling, Siberian Branch, Russian Academy of Sciences. . - ISSN 0946-2171
Кл.слова (ненормированные):
Aggregates -- Dimers -- Gold -- Liquids -- Metal nanoparticles -- Nanoparticles -- Nonlinear optics -- Silver -- Surface plasmon resonance -- Au nanoparticle -- Colloidal aggregates -- Experimental values -- Experimental verification -- Metallic nanoparticles -- Nonlinear optical response -- Plasmonic nanoparticle -- Surface plasmon frequency -- Plasmons
Аннотация: We have shown significant suppression of resonant properties of metallic nanoparticles at the surface plasmon frequency during the phase transition “solid–liquid” in the basic materials of nanoplasmonics (Ag, Au). Using experimental values of the optical constants of liquid and solid metals, we have calculated nanoparticle plasmonic absorption spectra. The effect was demonstrated for single particles, dimers and trimers, as well as for the large multiparticle colloidal aggregates. Experimental verification was performed for single Au nanoparticles heated to the melting temperature and above up to full suppression of the surface plasmon resonance. It is emphasized that this effect may underlie the nonlinear optical response of composite materials containing plasmonic nanoparticles and their aggregates. © 2017, Springer-Verlag Berlin Heidelberg.

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Держатели документа:
Institute of Computational Modeling, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, Russian Federation
Siberian State University of Science and Technologies, Krasnoyarsk, Russian Federation
L.V. Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Ershov, A. E.; Ершов, Александр Евгеньевич; Gerasimov, V. S.; Герасимов, Валерий Сергеевич; Gavrilyuk, A. P.; Karpov, S. V.; Карпов, Сергей Васильевич
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    In-situ Raman study of phengite compressed in water medium under simultaneously high P-T parameters / S. V. Goryainov [et al.] // J. Raman Spectrosc. - 2017. - Vol. 48, Is. 11. - P. 1431-1437, DOI 10.1002/jrs.5112. - Cited References:57. - This work was supported by the Russian Science Foundation (Grant No. 15-17-30012) . - ISSN 0377-0486. - ISSN 1097-4555
   Перевод заглавия: Исследование фенгита в сжатом состоянии в водной среде при одновременном высоком параметре P-T методом комбинационного расеяния света

РУБ Spectroscopy
Рубрики:
X-RAY-DIFFRACTION
HYDROGEN-BOND DIMERS
POLARIZED IR-SPECTRA
Кл.слова (ненормированные):
Raman spectra -- phengite -- high pressure -- high temperature -- diamond anvil -- cell
Аннотация: The in-situ method of Raman spectroscopy was used to study the layered mineral phengite, K(Al,Mg)2(Si,Al)4O10(OH)2, compressed in water under simultaneously high temperatures and pressures (respectively, up to 373 °С and 12.5 GPa). The implemented conditions were typical of modeling the ‘cold’ subduction zones in lithospheric slabs. The high pressures and temperatures were produced in an electrically heated diamond-anvil cell. Measured Raman spectra have demonstrated a high Р–Т stability of the mineral. No non-quenchable phengite states (no reversible or irreversible polymorphic transitions, overhydration or notable amorphization) were observed in the investigated samples.

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Доп.точки доступа:
Goryainov, S. V.; Горяйнов, Сергей Владимирович; Krylov, A. S.; Крылов, Александр Сергеевич; Polyansky, O. P.; Полянский, О. П.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Russian Science Foundation [15-17-30012]; International GeoRAMAN Conference(12th ; June 9-15, 2016 ; Novosibirsk, Russia)
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Hydrogen bond effects in multimode nuclear dynamics of acetic acid observed via resonant x-ray scattering / V. Savchenko, V. Ekholm, I. E. Brumboiu [et al.] // J. Chem. Phys. - 2021. - Vol. 154, Is. 21. - Ст. 214304, DOI 10.1063/5.0049966. - Cited References: 64. - This work was supported by the Swedish Research Council (Grant Nos. 2019-03470, 2018-4343, and 2017-06419) and the Russian Science Foundation (Project No. 16-12-10109). M.O. acknowledges financial support from the Carl Tryggers Foundation (Grant CTS18:285) and the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 860553. F.G. acknowledges the support from the Helmholtz Virtual Institute VI419 “Dynamic Pathways in Multidimensional Landscapes.” The research work of V.S. was partially funded by a Swedish Institute scholarship. The synchrotron experiments were performed at the ADRESS beamline of the Swiss Light Source at the Paul Scherrr Institut (PSI). The work at PSI was supported by the Swiss National Science Foundation through the NCCR MARVEL and the Sinergia project “Mott Physics Beyond the Heisenberg (MPBH) model” (SNSF Research Grant Nos. CRSII2:141962 and CRSII2:1607651). The research leading to these results received funding from the European Community’s Seventh Framework Programme (No. FP7/2007–2013) under Grant Agreement No. 290605 (COFUND: PSIFELLOW). The calculations were enabled by resources provided by the Swedish National Infrastructure for Computing (SNIC) partially funded by the Swedish Research Council through Grant Agreement No. 2018-05973 . - ISSN 0021-9606
Кл.слова (ненормированные):
Acetic acid -- Degrees of freedom (mechanics) -- Dimers -- Hydrogen bonds -- Liquids -- pH -- Comprehensive analysis -- Hydrogen-bond effect -- Hydrogen-bond formation -- Resonant inelastic x-ray scattering -- Resonant X-ray scattering -- Theoretical simulation -- Vibrational degrees of freedom -- Vibrational dynamics -- X ray scattering
Аннотация: A theoretical and experimental study of the gas phase and liquid acetic acid based on resonant inelastic x-ray scattering (RIXS) spectroscopy is presented. We combine and compare different levels of theory for an isolated molecule for a comprehensive analysis, including electronic and vibrational degrees of freedom. The excitation energy scan over the oxygen K-edge absorption reveals nuclear dynamic effects in the core-excited and final electronic states. The theoretical simulations for the monomer and two different forms of the dimer are compared against high-resolution experimental data for pure liquid acetic acid. We show that the theoretical model based on a dimer describes the hydrogen bond formation in the liquid phase well and that this bond formation sufficiently alters the RIXS spectra, allowing us to trace these effects directly from the experiment. Multimode vibrational dynamics is accounted for in our simulations by using a hybrid time-dependent stationary approach for the quantum nuclear wave packet simulations, showing the important role it plays in RIXS.

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Держатели документа:
Department of Theoretical Chemistry and Biology, Kth Royal Institute of Technology, Stockholm, SE-106 91, Sweden
International Research Center of Spectroscopy and Quantum Chemistry-IRC Sqc, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Kirensky Institute of Physics, Federal Research Center Ksc Sb Ras, Krasnoyarsk, 660036, Russian Federation
Department of Physics and Astronomy, Uppsala University, P.O. Box 516, Uppsala, SE-751 20, Sweden
Max Iv Laboratory, Lund University, P.O. Box 118, Lund, SE-221 00, Sweden
Department of Chemistry, Pohang University of Science and Technology (POSTECH), Pohang, 37673, South Korea
Institute for Methods and Instrumentation in Synchrotron Radiation Research PS-ISRR, Helmholtz-Zentrum Berlin fur Materialien und Energie, Albert-Einstein-Strasse 15, Berlin, 12489, Germany
Institut fur Physik und Astronomie, Universitat Potsdam, Karl-Liebknecht-Strasse 24-25, Potsdam, 14476, Germany
Department of Medicinal Chemistry, Uppsala University, P.O. Box 574, Uppsala, 75123, Sweden
Swiss Light Source, Photon Science Division, Paul Scherrer Institut, Villigen PSI, CH-5232, Switzerland
Department of Physics, Stockholm University, AlbaNova University Center, Stockholm, 10691, Sweden

Доп.точки доступа:
Savchenko, V.; Савченко, Виктория; Ekholm, V.; Brumboiu, I. E.; Norman, P.; Pietzsch, A.; Fohlisch, A.; Rubensson, J. -E.; Grasjo, J.; Bjorneholm, O.; Sathe, C.; Dong, M.; Schmitt, T.; McNally, D.; Lu, X.; Krasnov, P. O.; Краснов, Павел Олегович; Polyutov, S. P.; Полютов, Сергей Петрович; Gel'mukhanov, F.; Гельмуханов, Фарис Хафизович; Odelius, M.; Kimberg, V.; Кимберг, Виктор Валерьевич
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    Thermo-dynamical contours of electronic-vibrational spectra simulated using the statistical quantum-mechanical methods [Text] / V. Pomogaev [et al.] // Theor. Chem. Acc. - 2011. - Vol. 130, is. 4-6. - P609-632, DOI 10.1007/s00214-011-0936-6. - Cited Reference Count: 112. - Гранты: We would like to acknowledge scientific discussions with the following collaborators and friends: Daniel Chipman, Victor Ya. Artyukhov for common discussions concerning theoretical questions and methodology; John S. Tse and Dennis D. Klug for initial discussions concerning the properties of cyanoanthracene; and Yuriko Aoki for discussions of benzene and estradiol. We would also like to thank the following funding agencies and institutions for supporting this work during its various stages of development: Kyushu University, Japan; Steacie Institute for Molecular Sciences, Canada; University of Notre Dame, USA; Siberian Physical-Technical Institute, Russia; Siberian Federal University, Russia; Kirensky Institute of Physics, Russia. We would like to thank FAPESP for project 16782-2/2009 which allowed Prof. Jalkanen to visit LEVB at UniVaP for the period from June 2010 to May 2011 from the Quantum Protein (QuP) Center at the Technical University in Denmark during which time this work was completed. - Финансирующая организация: Kyushu University, Japan; Steacie Institute for Molecular Sciences, Canada; University of Notre Dame, USA; Siberian Physical-Technical Institute, Russia; Siberian Federal University, Russia; Kirensky Institute of Physics, Russia . - DEC. - ISSN 1432-881X
Рубрики:
DENSITY-FUNCTIONAL THEORY
   INITIO MOLECULAR-DYNAMICS
   CIRCULAR-DICHROISM SPECTRA
   LASER-INDUCED FLUORESCENCE
   NUCLEAR SHIELDING TENSORS
   ALANINE N'-METHYLAMIDE
   ALKALINE-EARTH DIMERS
   ABSORPTION-SPECTRA
   HYDRATED ELECTRON
   AQUEOUS-SOLUTION
Кл.слова (ненормированные):
organic compounds -- molecular dynamics -- photophysical properties -- electronic spectra -- electronic spectra -- molecular dynamics -- organic compounds -- photophysical properties
Аннотация: Three polycyclic organic molecules in various solvents focused on thermo-dynamical aspects were theoretically investigated using the recently developed statistical quantum mechanical/classical molecular dynamics method for simulating electronic-vibrational spectra. The absorption bands of estradiol, benzene, and cyanoanthracene have been simulated, and most notably, the increase in the spectral intensity for the lowest excited state transition as the temperature is increased observed experimentally is well reproduced. In addition, this method has been extended to treat luminescent processes also, and it is seen that the experimental emission spectrum of cyanoanthracene is also well described. The method still needs further refinement, but results to date, including those presented in this work, document clearly that our model is one which is able to treat the many complex effects that the environment have on electronic absorption and emission spectra.

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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Univ Notre Dame, Notre Dame Radiat Lab, Notre Dame, IN 46556 USA
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Univ Vale Paraiba, Lab Biomed Vibrat Spectrscopy, Inst Res & Dev, BR-12244000 Sao Paulo, Brazil
Tech Univ Denmark, Dept Phys, Quantum Prot QuP Ctr, DK-2800 Lyngby, Denmark

Доп.точки доступа:
Pomogaev, V.; Avramov, P. V.; Аврамов, Павел Вениаминович; Kachin, S.; Pomogaeva, A.; Jalkanen, K. J.
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Intense charge transfer plasmons in golden nanoparticle dimers connected by conductive molecular linkers / A. S. Fedorov, M. A. Visotin, A. V. Lukyanenko [et al.] // J. Chem. Phys. - 2024. - Vol. 160, Is. 8. - Ст. 084110, DOI 10.1063/5.0183334. - Cited References: 52. - This study was supported by the Russian Science Foundation, Agreement No. 23-12-20007, and the Government of the Krasnoyarsk Territory and the Krasnoyarsk Territorial Foundation for Support of Scientific and R&D Activities, Agreement No. 256 . - ISSN 0021-9606. - ISSN 1089-7690
Аннотация: Golden nanoparticle dimers connected by conjugated molecular linkers 1,2-bis(2-pyridyl)ethylene are produced. The formation of stable dimers with 22 nm diameter nanoparticles is confirmed by transmission electron microphotography. The possibility of charge transfer through the linkers between the particles in the dimers is shown by the density functional theory calculations. In addition to localized plasmon resonance of solitary nanoparticles with a wavelength of 530 nm, the optical spectra exhibit a new intense absorption peak in the near-infrared range with a wavelength of ∼780 nm. The emergent absorption peak is attributed to the charge-transfer plasmon (CTP) mode; the spectra simulated within the CTP developed model agree with the experimental ones. This resonant absorption may be of interest to biomedical applications due to its position in the so-called transmission window of biological tissues. The in vitro heating of CTP dimer solution by a laser diode with a wavelength of 792 nm proved the efficiency of CTP dimers for achieving a temperature increase of ΔT = 6 °C, which is sufficient for hyperthermia treatment of malignant tumors. This indicates the possibility of using hyperthermia to treat malignant tumors using the material we synthesized.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia
International Research Center of Spectroscopy and Quantum Chemistry – IRC SQC, Siberian Federal University, 660041 Krasnoyarsk, Russia
Siberian Federal University, 660041 Krasnoyarsk, Russia
Institute of Computational Modeling, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Visotin, M. A.; Высотин, Максим Александрович; Lukyanenko, A. V.; Лукьяненко, Анна Витальевна; Gerasimov, V. S.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич
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