?
Crucial effect of transverse vibrations on the transport through polymer chains
Journal of Chemical Physics. 2020. Vol. 153. No. 13. P. 134102.
Boulatov A., Burin A.
The low temperature transport of electron, or vibrational or electronic exciton towards polymer chains turns out to be dramatically sensitive to its interaction with transverse acoustic vibrations. We show that this interaction leads to substantial polaron effect and decoherence, which are generally stronger than those associated with longitudinal vibrations. For site-dependent interactions transverse phonons form subohmic bath leading to the quantum phase transition accompanied by full suppression of the transport at zero temperature and fast decoherence characterized by temperature dependent rate k2 ∝ T3/4 at low temperature while k2 ∝ T2 for site-independent interactions. The latter dependence was used to interpret recent measurements of temperature dependent vibrational energy transport in polyethylene glycol oligomers.
Мальцева В. Е., Ananyev I., Sivaev I. et al., Journal of Cluster Science 2025 Vol. 36 No. 5 Article 161
The conformational mobility of the [8-EtO-8’-I-3,3’-Co(1,2-C2B9H10)2]− anion, which has been chosen as a model compound for many potential drugs based on cobalt bis(dicarbollide), was studied by 1H NMR spectroscopy, single crystal X-ray diffraction and quantum chemical calculations. According to the results of quantum chemical calculations, the most favourable conformation for [8-EtO-8’-I-3,3’-Co(1,2-C2B9H10)2]− is the transoid conformation, which is stabilized by one ...
Added: May 13, 2026
Мальцева В. Е., Оскорбин А. А., Журнал общей химии 2023 Т. 93 № 11 С. 1722–1735
С использованием композитных методов квантово-химических расчетов и метода атомизации выполнены расчеты энтальпии образования для тестового набора из 79 соединений с точностью 3.8, 4.5, 4.7 кДж/моль для методов G4, G4MP2, CBS-QB3 соответственно. По результатам статистического анализа отклонений теоретических значений от экспериментальных выявлено присутствие ошибок, возникающих на этапе оптимизации геометрии из-за неучтенных в расчете корреляционных эффектов. Для ...
Added: May 13, 2026
Мальцева В. Е., Ananyev I., Милевская А. В. et al., Теоретические основы химической технологии 2025 Т. 59 № 3 С. 13–22
Проведено квантово-химическое моделирование механизма экстракции Fe(III) из солянокислого раствора с использованием гидрофобных эвтектических растворителей на основе 1-октанола. Установлено, что путь реакции существенно различается в зависимости от того, является ли инертный компонент донором или акцептором водородной связи в димере с октанолом. На основе оценки прочности водородных связей показано, что более слабое взаимодействие между компонентами упрощает протекание ...
Added: May 13, 2026
Мальцева В. Е., Ananyev I., Kozhevnikova A. et al., Molecules 2024 Vol. 29 No. 21 Article 5022
A new approach to managing the extraction properties of eutectic solvents based on aliphatic alcohols is proposed. Aliphatic alcohols, when functioning as hydrogen bond donors within a eutectic solvent, significantly enhance the solvent’s efficiency in extracting metal ions. Conversely, when the alcohol acts as a hydrogen bond acceptor, its extraction properties diminish. Molecular modelling reveals ...
Added: May 13, 2026
Садртдинова Г. И., Nifantiev I., Vinogradov A. et al., Russian Chemical Reviews 2025 Vol. 94 No. 9 P. 1 – 55
The reactivity of polar vinyl monomers, unsaturated compounds containing functional groups, depends on the presence or absence of conjugation between the C=C bond and the neighbouring unsaturated moieties or donor heteroatoms. Conjugated polar vinyl monomers (acrylates, vinyl ethers, etc.) (co)polymerize upon free-radical initiation. The reaction is widely used to produce numerous polymer materials that qualitatively differ ...
Added: May 12, 2026
Ilya Nifant’ev, Komarov P., Guzelia Sadrtdinova et al., Polymers 2024 Vol. 16 No. 5 Article 681
Silica-supported chromium oxide catalysts, also named Phillips chromium catalysts (PCCs), provide more than half of the world’s production of high- and medium-density polyethylenes. PCCs are usually prepared in the Cr(VI)/SiO2 form, which is subjected to reductive activation. It has been explicitly proven that CO reduces Cr(VI) to Cr(II) species that initiate ethylene polymerization; ethylene activates ...
Added: May 12, 2026
Bisnovatyi-Kogan G., Kondratyev I., Moiseenko S. G., International Journal of Modern Physics A 2025 Vol. 40 No. 7 Article 2550018
Bright transient objects in different wave bands have been discovered in recent years.
To explain these short (from ms to s), and very powerful events, different models, galactic and
extragalactic, have been considered. One of the popular models is based on the suggestion of
transformation of the magnetized plasma blob, presumably a magnetohydrodynamic (MHD)
shock wave, moving with relativistic ...
Added: May 11, 2026
Торопина О. Д., Бисноватый-Коган Г. С., Moiseenko S. G., Astronomy Reports 2025 Vol. 69 No. Suppl. 1 P. 80–90
The results of MHD simulations of supersonic astrophysical and laboratory jets in an external
poloidal magnetic field (Br,Bz) taking into account the rotation of the matter, are presented. The ejected
matter is collimated by the magnetic field, the degree of collimation and the flow structure depend on the
relation between of the magnetic field induction and the angular ...
Added: May 11, 2026
Гущина В. А., Russian Journal of Inorganic Chemistry 2024 Vol. 69 No. 6 P. 940–948
Currently, ABX3 nanoparticles (NPs) based on lead halides attract the attention due to their unique optical properties and a wide range of applications. The preparation of NPs with lead as a partial or complete replacement is particularly interesting because of the toxicity of this chemical element and most of its compounds. In this study, we propose a ...
Added: May 6, 2026
Morozov E. V., Demin A. S., Borovitskaya I. V. et al., Inorganic Materials: Applied Research 2026 Vol. 17 No. 3 P. 619–626
This article presents the results of experiments on the impact of powerful pulsed ion-plasma and
electron flows generated in the working chamber of the Plasma Focus PF-5M installation during each highvoltage
discharge on a model aluminum alloy B95. It is shown that the general characteristics of the alloy’s
damage upon exposure to pulsed flows of helium ions (HI) ...
Added: May 4, 2026
Ponomarev A., Aleksandrov N., Plasma Physics Reports 2026 Vol. 52 No. 3 P. 367–378
An approximate method for calculating drift velocity and other kinetic coefficients of heavy ions
in a light gas is generalized to gaseous mixtures. Obtained equations are used to calculate the mobilities of
and ions, as well as rate constants for inelastic ion–molecule processes with these ions in helium with
small additions of O2 under an electric field. Calculated ...
Added: April 27, 2026
Domrin V. I., Malova H. V., V. Yu. Popov et al., Cosmic Research 2026 Vol. 64 No. 2 P. 238–252
During magnetospheric perturbations a relatively thin current sheet with thickness about several
proton gyroradii forms in the Earth’s magnetotail. In a framework of the kinetic model describing current
sheet thinning in the magnetotail, the processes of its formation are investigated depending on the normal
magnetic field magnitude which affects both the current sheet structure and particle dynamics within ...
Added: April 27, 2026
Tsareva O. O., Malova H. V., V. Yu. Popov et al., Plasma Physics Reports 2026 Vol. 52 No. 2 P. 179–185
The influence of asymmetry of plasma sources on the structure and spatial localization of a superthin
current sheet (STCS) supported by demagnetized electrons is studied using a self-consistent model. The
simulation takes into account the presence of a single plasma source in the northern hemisphere, which
makes the plasma flow asymmetric. It is demonstrated that the asymmetry of ...
Added: April 27, 2026
П.А.Беспалов, О.Н. Савина, Геомагнетизм и аэрономия 2025 Т. 65 № 5 С. 620–628
Several basic models of frequency dynamics in quasi-periodic VLF emissions with spectral form repetition
periods from 10 to 300 s are considered. In all cases, we are talking about manifestations of cyclotron instability
of electron radiation belts thet are well described within the framework of the plasma magnetospheric maser
theory based an the averaged self-consistent system of quasi-linear ...
Added: April 25, 2026
Bondarenko G.G., Fisher M. R., Kristya V. I., Bulletin of the Russian Academy of Sciences: Physics 2026 Vol. 90 No. 4 P. 572–576
A model of the cathode layer of a glow gas discharge with a thin dielectric film on a fraction of the
cathode’s working surface is formulated. It is shown that a glow discharge most rapidly transits to an arc discharge,
accompanied by a significant increase in discharge current density and a decrease in cathode voltage
drop, if the ...
Added: April 25, 2026
Krasnov L., Malikov D., Kiseleva M. et al., Journal of Medicinal Chemistry 2026 Vol. 69 No. 8 P. 8838–8851
In this work, we developed a straightforward data-driven approach to predict the cytotoxicity of metal complexes based entirely on their (metal + ligands) composition. To this end, we have manually curated MetalCytoToxDB─a comprehensive experimental database comprising 26,500 IC50 values for 7050 metal complexes against 754 cell lines from 1921 articles. Based on these, machine learning ...
Added: April 23, 2026
Novikov A., Inorganic Chemistry Communications 2026 Article 116670
The reaction of copper(I) phenylacetylide [PhC ≡ CCu]n with the 2-pyridylphosphines (tBu2PyP and Ph2PyP) offers a straightforward route to structurally diverse clusters. With tBu2PyP, a trinuclear cluster [Cu3(C ≡ CPh)3(tBu2PyP)3] featuring a Cu3 triangular was isolated. Surprisingly, the reaction of [PhC ≡ CCu]n with Ph2PyP yields two isomeric clusters [Cu4(C ≡ CPh)4(Ph2PyP)4] with tetrahedral or zigzag-arranged Cu4 cores. Upon prolonged storage in acetonitrile, the tetrahedral Cu4 cluster converts to ...
Added: April 22, 2026
Sahasrabudhe A., Mikhail A. Prosnikov, Koethe T. et al., Physical Review Research 2024 Vol. 6 No. 2 Article L022005
In the Kitaev magnet 𝛼-RuCl3, the existence of a magnetic-field-induced quantum spin-liquid phase and of anyonic excitations is controversially discussed. We address this elusive, exotic phase via helicity-dependent Raman scattering and analyze the Raman optical activity of excitations as a function of magnetic field and temperature. The hotly debated field regime between 7.5 and 10.5T is characterized by ...
Added: January 26, 2026
Seidov S., Pugach N., Sidorenko A., Beilstein Journal of Nanotechnology 2025 Vol. 16 P. 1668–1676
In this work we consider a spin model composed of a single spin and connected to an infinitely coordinated Ising chain. Theoretical models of this type arise from various fields of theoretical physics, such as theory of open systems, quantum control, and quantum computations. In the thermodynamic limit of an infinite chain, we map the ...
Added: January 12, 2026
Andreeva S., Shchepetilnikov A., Николаев Г. А. et al., Письма в Журнал экспериментальной и теоретической физики 2025 Т. 121 № 7-8 С. 674–680
Квантовый фазовый переход был обнаружен в многодолинной двумерной электронной системе, заключенной в AlAs квантовой яме, при низкой температуре и в больших магнитных полях. Переход возникал при последовательном увеличении угла наклона магнитного поля и сопровождался появлением особенности - острого пика - в продольном сопротивлении образца. Несмотря на то, что тип наблюдаемого фазового перехода крайне сложно установить ...
Added: April 22, 2025
Shaginyan V. R., Msezane A. Z., Artamonov S. et al., Advanced Materials & Sustainable Manufacturing 2025 Vol. 2 No. 1 Article 10001
Quantum spin liquids of frustrated magnets are among the most attractive and basic systems in physics. Frustrated magnets exhibit exceptional properties as insulators and metals, making them advanced materials that represent materials for future technologies. Therefore, a reliable theory describing these materials is of great importance. The fermion condensation theory provides an analytical description of ...
Added: February 24, 2025
Dmitriy S. Shapiro, Sergey V. Remizov, Lebedev A. et al., Physical Review A: Atomic, Molecular, and Optical physics 2022 Vol. 105 No. 2 Article 023321
A dimerized fermion chain, described by Su-Schrieffer-Heeger (SSH) model, is a well-known example of a one-dimensional system with a nontrivial band topology. An interplay of disorder and topological ordering in the SSH model is of great interest owing to experimental advancements in synthesized quantum simulators. In this paper, we investigate a special sort of a ...
Added: July 26, 2023
Смирнов И. А., Черкесова Л. В., Бабаян М. Г. et al., Международный журнал прикладных и фундаментальных исследований 2019 № 7 С. 93–99
Over the past decades, new physical effects have been applied to the construction of standards: the Josephson
quantum effect, the quantum Hall effect, the Meissner effect, the Mossbauer effect, and others. and Hall. The
development of quantum Josephson circuits has created high hopes for reliable processing of quantum information.
Despite the fact that this progress has already led ...
Added: May 10, 2023
Elistratov A., Remizov S., Lozovik Y., Physical Review A: Atomic, Molecular, and Optical physics 2020 Vol. 102 No. 3 Article 042224
Using semion substitution for spin variables we perform an ab initio derivation of effective action for an open quantum two-level system . For this purpose, we introduce, by using the Hubbard-Stratonovich transformation a two-time complex quantum field which average value plays the role of the Green's function for the spin variables. The field thus introduced allows us ...
Added: October 29, 2021