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Institute of Physics and Applied Computer Science
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Catalog Publications
Year 2015
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Quantum metrology: Heisenberg limit with bound entanglement
PublicationQuantum entanglement may provide a huge boost in the precision of parameter estimation. However, quantum metrology seems to be extremely sensitive to noise in the probe state. There is an important still open question: What type of entanglement is useful as a resource in quantum metrology? Here we raise this question in relation to entanglement distillation. We provide a counterintuitive example of a family of bound entangled states...
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Quantum origins of objectivity
PublicationIn spite of all of its successes, quantum mechanics leaves us with a central problem: How does nature create a bridge from fragile quanta to the objective world of everyday experience? Here we find that a basic structure within quantum mechanics that leads to the perceived objectivity is a so-called spectrum broadcast structure. We uncover this based on minimal assumptions, without referring to any dynamical details or a concrete...
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Scattering of electrons by a 1,2-butadiene (C4H6) molecule: measurements and calculations
PublicationWe present the results of experimental and theoretical study on electron collisions with a 1,2-butadiene (H2C=C=CHCH3) molecule. Absolute grand-total cross sections (TCSs) were measured using a linear electron-transmission method for collision energies in the 0.5–300 eV range. Two distinct features in the TCS energy curve were detected: a narrow peak located at 2.3 eV and a broad enhancement centered around 9 eV. We attributed...
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Solution of coupled integral equations for quantum scattering in the presence of complex potentials
PublicationIn this paper, we present a method to compute solutions of coupled integral equations for quantum scattering problems in the presence of a complex potential. We show how the elastic and absorption cross sections can be obtained from the numerical solution of these equations in the asymptotic region at large radial distances.
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The adiabatic potentials of low-lying electronic states of the NaRb molecule
PublicationAdiabatic potential energy curves and spectroscopic constants have been calculated for the NaRb molecule. The results of ten states of the symmetry Σ+, six states of the symmetry Π, and two states of the symmetry Δ are obtained by the nonrelativistic quantum chemical method used with pseudopotentials describing the interaction of valence electrons with atomic cores. Analysis is based on a comparison with the results of other theoretical...
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The nonlinear effects of sound in a liquid with relaxation losses
PublicationThe nonlinear effects of sound in electrolyte with a chemical reaction are examined. The dynamic equations that govern non-wave modes in the field of intense sound are derived, and acoustic forces of vortex, entropy, and relaxation modes are determined in the cases of low-frequency sound and high-frequency sound. The difference in the nonlinear effects of sound in electrolyte and in a gas with excited vibrational degrees of molecules,...
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Thermal Self-Action of Acoustic Beams Containing Several Shock Fronts
PublicationThermal self-action of an acoustic beam with one discontinuity or several shock fronts is studied in a Newtonian fluid. The stationary self-action of a single sawtooth wave with discontinuity (or some integer number of these waves), symmetric or asymmetric, is considered in the cases of self-focusing and self- defocusing media. The results are compared with the non-stationary thermal self-action of the periodic sound. Thermal self-action...
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Ultrafast Intramolecular Relaxation and Wave-Packet Motion in a Ruthenium-Based Supramolecular Photocatalyst
PublicationThe hydrogen-evolving photocatalyst [(tbbpy)2 Ru(tpphz)Pd(Cl)2 ](2+) (tbbpy=4,4'-di-tert-butyl-2,2'-bipyridine, tpphz=tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine) shows excitation-wavelength-dependent catalytic activity, which has been correlated to the localization of the initial excitation within the coordination sphere. In this contribution the excitation-wavelength dependence of the early excited-state relaxation...
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Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations
PublicationThe highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5−10.7 eV (275.5−118.0 nm) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator...
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Valence and ionic lowest-lying electronic states of small esters studied by high resolution vacuum ultraviolet photoabsorption, photoelectron spectroscopy and ab initio calculations
PublicationEsters are an important class of oxygenated volatile organic compounds used in food flavorings, perfumes and other cosmetic products. They are present in fruits and pheromones and are emitted to the atmosphere naturally. Esters are also formed in the atmosphere as a product of the oxidation of ethers. Some of them form poly-molecule chains and are used in plastics. Phosphoesters form DNA backbone, while nitroesters are known for...
Year 2014
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A Dirac delta-type orthogonality relation for the on-the-cut generalized associated Legendre functions of the first kind with imaginary second upper indices
PublicationThe orthogonality relation for the on-the-cut generalized associated Legendre functions of the first kind with imaginary second upper indices is evaluated in a closed form. It is found to be proportional to a sum of two terms, both depending on the second upper indices and containing the Dirac delta distribution.
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Acoustic Streaming Induced by Periodic and Aperiodic Sound in a Bubbly Liquid
PublicationThe vortex ow which follows intense sound propagating in a bubbly liquid, is considered. The reasons for acoustic streaming are both nonlinearity and dispersion. That makes streaming especial as compared with that in a Newtonian uid. Conclusions concern the vortex ow induced in a half-space by initially harmonic or impulse Gaussian beam. The vortex ow recalls a turbulent ow with increasing in time number of small-scale vortices...
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Analysis of higher recombination orders in organic bulk heterojunction solar cells
PublicationRecently, it has been experimentally demonstrated that an order of nongeminate recombination exceeds two in some types of organic bulk heterojunction donor-acceptor structures. This result is different than for the case of bimolecular recombination described by Langevin theory. Although several theoretical explanations of this effect have been presented, the origin of higher recombination orders is still questionable. In this work,...
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APPLICATION OF BINARY-ENCOUNTER-BETHE METHOD TO ELECTRON-IMPACT IONIZATION CROSS SECTION CALCULATIONS FOR BIOLOGICALLY RELEVANT MOLECULES
PublicationElectron-impact cross sections for platinum chemotherapeutic compounds, purine and pyrimidine molecules calculated using binary-encounterBethe model are presented as examples of possible applications of that method.
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Can Communication Power of Separable Correlations Exceed That of Entanglement Resource?
PublicationThe scenario of remote state preparation with a shared correlated quantum state and one bit of forward communication [B. Dakić et al., Nat. Phys. 8, 666 (2012)] is considered. Optimization of the transmission efficiency is extended to include general encoding and decoding strategies. The importance of the use of linear fidelity is recognized. It is shown that separable states cannot exceed the efficiency of entangled states by...
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Characterizing the Performance of <span class="sc">xor</span> Games and the Shannon Capacity of Graphs
PublicationIn this Letter we give a set of necessary and sufficient conditions such that quantum players of a two-party xor game cannot perform any better than classical players. With any such game, we associate a graph and examine its zero-error communication capacity. This allows us to specify a broad new class of graphs for which the Shannon capacity can be calculated. The conditions also enable the parametrization of new families of games...
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Constructive entanglement test from triangle inequality
PublicationWe derive a simple lower bound on the geometric measure of entanglement for mixed quantum states in the case of a general multipartite system. The main ingredient of the presented derivation is the triangle inequality applied to the root infidelity distance in the space of density matrices. The obtained bound leads to entanglement criteria with a straightforward interpretation. The proposed criteria provide an experimentally accessible,...
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Discrete simulations of a triaxial compression test for sand by DEM.
PublicationArtykuł przedstawia wyniki symulacji dyskretnych dla ściskania trójosiowego stosując metodę elementów dyskretnych DEM. Symulacje wykonano dla piasku. Zastosowano kuli z momentami kontaktu do symulacji kształtu ziaren. Przeprowadzono analizy dla różnych zmiennych parametrów: średnica piasku, krzywa uziarnienia, kształt ziaren, wymiary próbki i warunki brzegowe.
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E-experiments in physics. Proper business process management, collaborative development process and project management guidance – remedy for avoiding the main IT project’s failure
PublicationOnly a few of learning aids and simulations of physical phenomena allow for building interactive experiments; experiments similar to those that should be conducted in physics laboratories at schools. Group of staff from Gdansk University of Technology decided to fill this market niche by designing and constructing a set of virtual experiments – so called e-experiments. To avoid common problems that a lot of IT products brought...
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Electric-field-induced magnetic quadrupole moment in the ground state of the relativistic hydrogenlike atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublicationStosując rozwinięcie sturmowskie uogólnionej funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla magnetycznego momentu kwadrupolowego, indukowanego przez zewnętrzne słabe, stałe, jednorodne pole elektryczne w stanie podstawowym relatywistycznego atomujednoelektronowego.
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ELECTRON-IMPACT IONIZATION CROSS SECTIONS CALCULATIONS FOR PURINE AND PYRIMIDINE MOLECULES
PublicationCross sections for electron-impact ionization of purine and pyrimidine molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV. Ionization cross section for purine molecules is 1.4 times higher than for pyrimidine molecules. Acceptable agreement between experimental and theoretical ionization data for pyrimidine molecule has been found.
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Electron-impact ionization of fluoromethanes – Review of experiments and binary-encounter models
PublicationExperiments and recommended data on electron-impact ionization of methane and fluoromethanes (CH3F, CH2F2, CHF3, CF4) are reviewed and compared with binary-encounter models (Gryzinski’s, ´ Deutsch and Märk’s, and Kim and Rudd’s). A good agreement between recent experiments and the two latter classical-like models is shown. Kim and Rudd’s model (calculated presently in the restricted HartreeFock 6-31**G orbital basis) predicts well...
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Electron-scattering cross sections for selected alkyne molecules: Measurements and calculations
PublicationWe report cross-section results from experimental and theoretical studies on electron collisions with 1-butyne (HC≡C–CH2CH3) and acetylene (HC≡CH) molecules and from computations for a propyne (HC≡C–CH3) molecule. Absolute grand -total electron-scattering cross sections (TCSs) were measured at impact energies ranging from about 0.5 to 300 eV using the linear electron-transmission method. The TCS energy curve for 1-butyne has a...
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Elemental and tight monogamy relations in nonsignaling theories
PublicationPhysical principles constrain the way nonlocal correlations can be distributed among distant parties. These constraints are usually expressed by monogamy relations that bound the amount of Bell inequality violation observed among a set of parties by the violation observed by a different set of parties. We prove here that much stronger monogamy relations are possible for nonsignaling correlations by showing how nonlocal correlations...
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Formation of CN (B2∑+) radicals in the vacuum-ultraviolet photodissociation of pyridine and pyrimidine molecules
PublicationFormation of the excited CN(B2∑+) free radicals in the photodissociation of pyridine (C5H5N) and pyrimidine (C4H4N2) molecules was investigated over the energy ranges 16–27 and 14.7–25 eV, respectively. Photon-induced fluorescence spectroscopy was applied to detect the vibrationally and rotationally excited CN radicals by recording the B2∑+→X2∑+ emission bands (violet system). The measured dissociation yield curves demonstrate...
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Formation of CN (B2Σ+) radicals in the vacuum-ultraviolet photodissociation of pyridine and pyrimidine molecules
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Fotoprzewodnictwo powierzchniowe w warstwach TIPS-Pentacenu
PublicationW pracy przedstawiono wyniki badań doświadczalnych fotoprzewodnictwa powierzchniowego w naniesionych z roztworu warstwach TIPS-Pentacenu na podłożach szklanych zaopatrzonych w elektrody grzebieniowe wykonane z tlenku indu i cynku
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Free randomness amplification using bipartite chain correlations
PublicationA direct analysis of the task of randomness amplification from Santha-Vazirani sources using the violation of the chained Bell inequality is performed in terms of the convex combination of no-signaling boxes required to simulate quantum violation of the inequality. This analysis is used to find the exact threshold value of the initial randomness parameter from which perfect randomness can be extracted in the asymptotic limit of...
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Geminate-pair dissociation yield in systems with exponential energetic disorder — A Monte Carlo study
PublicationGeminate electron–hole recombination in systems with exponential energetic disorder is studied by Monte Carlo method. The field and temperature dependencies of geminate-pair dissociation probability are calculated. It is established that the dissociation yield of carrier pairs depends mainly on the extent of carrier thermalization, which influences the Einstein relationship. The approximate limiting temperature is given by Te =...
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High order of nongeminate recombination in organic bulk heterojunction solar cells
PublicationWe analyze high order of nongeminate recombination in organic donor–acceptor bulk heterojunction solar cells. The model of recombination where an exciton annihilates on an electron–hole Langevin bound pair near donor–acceptor interface has been applied in our studies. We obtained satisfactory agreement between experimental results and theoretical calculations for the concentration dependences of several parameters characterizing...
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Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules
PublicationFormation of the excited NH(A 3Π) free radicals in the photodissociation of isoxazole (C3H3NO) molecules has been studied over the 14-22 eV energy range using photon-induced fluorescence spectroscopy. The NH(A 3Π) is produced through excitation of the isoxazole molecules into higher-lying superexcited states. Observation of the NH radical, which is not a structural unit of the isoxazole molecule, corroborates the hydrogen atom...
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Hysteresis curves for some periodic and aperiodic perturbations in gases
PublicationEvolution of sound in a medium whose properties irreversibly vary in the course of wave propagation, is studied. For example, a gas that is a particular case of a Newtonian fluid is considered. Hysteresis curves, pictorial representations of irreversible attenuation of the sound energy, in the plane of thermodynamic states are plotted. The irreversible losses in internal energy are proportional to the total attenuation and depend...
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Influence of dipoles on the recombination in organic photovoltaic devices
PublicationAlthough organic compounds are promising materials to use them in photovoltaic devices, the efficiencies of organic solar cells are still lower in comparison to inorganic photocells. The recombination of charge carriers leads to the loss of photocurrent, therefore a detailed theoretical description of this process is required. In the present work, an influence of interface dipoles on the recombination process is discussed. We show...
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Intrinsic asymmetry with respect to adversary: a new feature of Bell inequalities
PublicationIt is known that the local bound of a Bell inequality is sensitive to the knowledge of the external observer about the settings statistics. Here we ask how that sensitivity depends on the structure of that knowledge. It turns out that in some cases it may happen that the local bound is much more sensitive to the adversaryʼs knowledge about the settings of one party than the other. Remarkably, there are Bell inequalities which are...
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Jedno- i dwuwarstwowe organiczne ogniwa fotowoltaiczne
PublicationOmówiona została zasada działania organicznych ogniw fotowoltaicznych na przykładzie ogniw jedno- i dwuwarstwowych. Przedstawione zostały procesy prowadzące do fotogeneracji swobodnych nośników ładunku w układach organicznych, ze szczególnym uwzględnieniem procesu dyfuzji oraz dysocjacji ekscytonu na złączu dwóch materiałów. Przytoczone zostały podstawowe wyrażenia na wartość napięcia fotowoltaicznego dla układów jedno- i dwuwarstwowych...
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Jednoelektronowy atom Diraca w słabym polu magnetycznym
PublicationW rozprawie przedstawiono opis wpływu zewnętrznego stałego, słabego, jednorodnego pola magnetycznego na jednoelektronowy atom Diraca. Wykorzystując funkcje gęstości ładunku elektrycznego oraz gęstości prądu elektrycznego, rozważono procesy indukowania się w atomie dodatkowych elektromagnetycznych momentów multipolowych. Dokonano analizy indukowanego momentu dipolowego, w wyniku której uzyskano wyrażenie dla magnetyzowalności atomu....
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Lekcja z e-doświadczeniem :Obwody prądu stałego
Publicationartykuł ma na celi pokazanie i zachęcenie do głębszego zapoznania się z e-doświadczeniami dot. obwodów prądu stałego
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Local hidden–variable models for entangled quantum states
PublicationWhile entanglement and violation of Bell inequalities were initially thought to be equivalent quantum phenomena, we now have different examples of entangled states whose correlations can be described by local hidden-variable models and, therefore, do not violate any of the Bell inequalities. We provide an up-to-date overview of the existing literature regarding local hidden-variable models for entangled quantum states, in both...
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Long-distance quantum communication over noisy networks without long-time quantum memory
PublicationThe problem of sharing entanglement over large distances is crucial for implementations of quantum cryptography. A possible scheme for long-distance entanglement sharing and quantum communication exploits networks whose nodes share Einstein-Podolsky-Rosen (EPR) pairs. In Perseguers et al. [Phys. Rev. A 78, 062324 (2008)] the authors put forward an important isomorphism between storing quantum information in a dimension D and transmission...
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Low-energy positron scattering from DNA nucleobases: the effects from permanent dipoles
PublicationAb initio quantum calculations for low-energy positron scattering from gas-phase isolated molecular nucleobases which are part of the DNA structure are presented and discussed over the range of 1 eV to 25 eV. The calculations report the integral cross sections (ICSs) and the momentum-transfer cross sections (MTCSs) for Adenine, Guanine, Thymine and Cytosine. The calculations show very clearly the important role of the dominant...
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Low-energy positron scattering from gas-phase uracil
PublicationQuantum scattering calculations are presented for the interaction of low energy positrons with the uracil molecule, an important component of biological systems. The rotational elastic and inelastic cross sections and vibrational inelastic cross sections are reported and compared with existing experiments, indicating a general trend of the cross sections different from the experimental findings and in line with what should be expected...
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Necessary and Sufficient Condition for State-Independent Contextual Measurement Scenarios
PublicationThe problem of identifying measurement scenarios capable of revealing state-independent contextuality in a given Hilbert space dimension is considered. We begin by showing that for any given dimension d and any measurement scenario consisting of projective measurements, (i) the measure of contextuality of a quantum state is entirely determined by its spectrum, so that pure and maximally mixed states represent the two extremes...
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Objectivity in a Noisy Photonic Environment through Quantum State Information Broadcasting
PublicationRecently, the emergence of classical objectivity as a property of a quantum state has been explicitly derived for a small object embedded in a photonic environment in terms of a spectrum broadcast form—a specific classically correlated state, redundantly encoding information about the preferred states of the object in the environment. However, the environment was in a pure state and the fundamental problem was how generic and robust...
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Parallel Implementation of the Discrete Green's Function Formulation of the FDTD Method on a Multicore Central Processing Unit
PublicationParallel implementation of the discrete Green's function formulation of the finite-difference time-domain (DGF-FDTD) method was developed on a multicore central processing unit. DGF-FDTD avoids computations of the electromagnetic field in free-space cells and does not require domain termination by absorbing boundary conditions. Computed DGF-FDTD solutions are compatible with the FDTD grid enabling the perfect hybridization of FDTD...
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Quantifying Contextuality
PublicationContextuality is central to both the foundations of quantum theory and to the novel information processing tasks. Despite some recent proposals, it still faces a fundamental problem: how to quantify its presence? In this work, we provide a universal framework for quantifying contextuality. We conduct two complementary approaches: (i) the bottom-up approach, where we introduce a communication game, which grasps the phenomenon of...
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Quantum structure in competing lizard communities
PublicationAlmost two decades of research on applications of the mathematical formalism of quantum theory as a modeling tool in domains different from the micro-world has given rise to many successful applications in situations related to human behavior and thought, more specifically in cognitive processes of decision-making and the ways concepts are combined into sentences. In this article, we extend this approach to animal behavior, showing...
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Quantum-state transfer in spin chains via isolated resonance of terminal spins
PublicationWe propose a quantum-state transfer protocol in a spin chain that requires only the control of the spins at the ends of the quantum wire. The protocol is to a large extent insensitive to inhomogeneity caused by local magnetic fields and perturbation of exchange couplings. Moreover, apart from the free evolution regime, it allows one to induce an adiabatic spin transfer, which provides the possibility of performing the transfer...
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Resonance-Raman spectro-electrochemistry of intermediates in molecular artificial photosynthesis of bimetallic complexes
PublicationThe sequential order of photoinduced charge transfer processes and accompanying structure changes were analyzed by UV-vis and resonance-Raman spectroscopy of intermediates of a Ru(II) based photocatalytic hydrogen evolving system obtained by electrochemical reduction.
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Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
PublicationThe thermally induced self-healing mechanisms in metallopolymers based on bisterpyridine complexes of iron(II) sulfate and cadmium(II) bromide, respectively, were studied by means of combined quantum mechanical/molecular mechanical (QM/MM) simulations and Raman spectroscopy. Two possible healing schemes, one based on a decomplexation of the cross-linking complexes and a second one relying on the dissociation of ionic clusters,...
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Self-refraction of acoustic pulses with shock fronts in some nonequilibrium media
PublicationThe nonlinear self-refraction of acoustic pulsed beams, which include shock fronts, is studied. The medium of sound propagation is a gas where thermodynamically nonequilibrium processes take place, such as exothermic chemical reaction or excitation of vibrational degrees of a molecule’s freedom. Comparative analysis of the features of sound propagation over gases where pure nonlinear attenuation of the shock wave occurs, and gases...