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Wyniki wyszukiwania dla: quantum semigroups
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Unraveling the role of boron dimers in the electrical anisotropy and superconductivity in boron-doped diamond
PublikacjaWe use quantum mechanics (QM) to determine the states formed by B dopants in diamond. We find that isolated B sites prefer to form BB dimers and that the dimers pair up to form tetramers (BBCBB) that prefer to aggregate parallel to the (111) surface in the <110> direction, one double layer below the H-terminated surface double layer. These tetramers lead to metallic character (Mott metal Insulator Transition) with holes in the...
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Experimental Extraction of Secure Correlations from a Noisy Private State
PublikacjaWe report experimental generation of a noisy entangled four-photon state that exhibits a separation between the secure key contents and distillable entanglement, a hallmark feature of the recently established quantum theory of private states. The privacy analysis, based on the full tomographic reconstruction of the prepared state, is utilized in a proof-of-principle key generation. The inferiority of distillation-based strategies...
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DFT studies of the refractive index of boron-doped diamond
PublikacjaThe density functional theory is one of the optimal solutions in calculation of optical properties of materials on the quantum scale. In this paper, we have investigated the refractive index of a boron-doped diamond structure with the usage of Atomistic Toolkit software from Synopsys. During this study, various methods and pseudopotentials were checked to obtain an optimal performanceaccuracy method for calculation of such materials....
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Crystallization of space: Space-time fractals from fractal arithmetic
PublikacjaFractals such as the Cantor set can be equipped with intrinsic arithmetic operations (addition, subtraction, multiplication, division) that map the fractal into itself. The arithmetics allows one to define calculus and algebra intrinsic to the fractal in question, and one can formulate classical and quantum physics within the fractal set. In particular, fractals in space-time can be generated by means of homogeneous spaces associated...
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Experimental generation of complex noisy photonic entanglement
PublikacjaWe present an experimental scheme based on spontaneous parametric down-conversion to produce multiple-photon pairs in maximally entangled polarization states using an arrangement of two type-I nonlinear crystals. By introducing correlated polarization noise in the paths of the generated photons we prepare mixed-entangled states whose properties illustrate fundamental results obtained recently in quantum information theory, in particular those...
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Absolute configurations of C34 and C35 of antibiotic niphimycin A
PublikacjaThe relative configurations of four stereogenic centers of the C33-C42 fragment of niphimycin A were assigned as 2S*, 3R*, 4S* and 6S*, based upon (1)H NMR analysis with double-quantum filtered COSY and nuclear Overhauser spectroscopy experiments. These data were then correlated with absolute configurations at C36 and C38 of niphimycin A, which were declared previously as 36S and 38S [3]. This allowed for the assignment of the...
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Absolute configurations of C34 and C35 of antibiotic niphimycin A
PublikacjaThe relative configurations of four stereogenic centers of the C33-C42 fragment of niphimycin A were assigned as 2S*, 3R*, 4S* and 6S*, based upon 1H NMR analysis with double-quantum filtered COSY and nuclear Overhauser spectroscopy experiments. These data were then correlated with absolute configurations at C36 and C38 of niphimycin A, which were declared previously as 36S and 38S [3]. This allowed for the assignment of the absolute...
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Intramolecular transformation of an antifungal antibiotic nystatin A1 into its isomer, iso-nystatin A1 - structural and molecular modeling studies
PublikacjaNystatin A1, a polyene macrolide antifungal antibiotic, in a slightly basic or acidic solution undergoes an intramolecular transformation, yielding a structural isomer, the translactonization product, iso-nystatin A1 with lactone ring diminished by two carbon atoms. Structural evidence is provided by advanced NMR and Mass Spectrometry (MS) studies. Molecular dynamics simulations and quantum mechanics calculations gave the insight...
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublikacjaWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
PublikacjaCrystal growth behavior of benzoic acid crystals on different surfaces was examined. The performed experiments documented the existence of very strong influence introduced by polar surfaces as glass, gelatin, and polyvinyl alcohol (PVA) on the growth of benzoic acid crystals. These surfaces impose strong orientation effect resulting in a dramatic reduction of number of faces seen with x-ray powder diffractions (XPRD). However,...
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On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
PublikacjaCrystal growth behavior of benzoic acid crystals on different surfaces was examined. The performed experiments documented the existence of very strong influence introduced by polar surfaces as glass, gelatin, and polyvinyl alcohol (PVA) on the growth of benzoic acid crystals. These surfaces impose strong orientation effect resulting in a dramatic reduction of number of faces seen with x-ray powder diffractions (XPRD). However,...
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On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
PublikacjaCrystal growth behavior of benzoic acid crystals on different surfaces was examined. The performed experiments documented the existence of very strong influence introduced by polar surfaces as glass, gelatin, and polyvinyl alcohol (PVA) on the growth of benzoic acid crystals. These surfaces impose strong orientation effect resulting in a dramatic reduction of number of faces seen with x-ray powder diffractions (XPRD). However,...
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Electrochemical, theoretical and surface physicochemical studies of the alkaline copper corrosion inhibition by newly synthesized molecular complexes of benzenediamine and tetraamine with π acceptor
PublikacjaTwo charge transfer complexes, namely [(BDAH)+(PA−)] CT1 [(BTAH)2+(PA−)2] and CT2 (BDAH = 1,2-benzenediamine, BTAH = 1,2,4,5-benzenetetramine, and PA− = 2,4,6-trinitrophenolate), were synthesized and fully characterized using various spectroscopic techniques. CT1 and CT2 were tested as inhibitors to effectively control the uniform and anodic corrosion processes of copper in an alkaline electrolyte (1.0 M KOH) using various electrochemical...
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On coertia and inertia in aspects of Natanson’s nonlinear extended thermodynamics
PublikacjaIn this article, the previously underrepresented contributions of Natanson to the field of thermodynamics have been presented. In order to identify a source of irreversibility at Nature, Natanson introduced the concept of Coertia, which is similar to inertia. Natanson’s Coertia is a fundamental property of space that is responsible for every irreversible phenomena in matter, as well as in the electromagnetic and gravitational fields....
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Factory Acceptance Test – Strain Gauge Measurement, Report no: WOiO /II/123/2014
PublikacjaTested object was 40 meters long jib and its foundation, placed in Gdansk Shiprepair Yard, manufactured by KMK. The contruction was dedicated to the passenger cruise vessel "Quantum of the Seas" The Strain Gauge measurement in different location and load situation was done in order to validate calculation finite element models used during strength analysis for project. The expertise contains: methodology of the measurements, description...
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Strahlungslose Übertragung von Elektronenanregungsenergie bei zweidimensionalen lumineszierenden Systemen
PublikacjaAn expression for the photoluminescence (PhL) quantum yield of donors in two-dimensional systems as depending on the concentration ratio nD'/nA' of donors and acceptors has been obtained. In the particular case nD' ⪡ nA' the expression reduces to the form given by other authors. The obtained formula can also be applied to the description of the concentrational quenching of PhL when dimers act as acceptors. The theory has been...
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Multipartite secret key distillation and bound entanglement
PublikacjaRecently it has been shown that quantum cryptography beyond pure entanglement distillation is possible and a paradigm for the associated protocols has been established. Here we systematically generalize the whole paradigm to the multipartite scenario. We provide constructions of new classes of multipartite bound entangled states, i.e., those with underlying twisted Greenberger-Horne-Zeilinger (GHZ) structure and nonzero distillable...
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THIRD-ORDER EXPONENTIAL INTEGRATOR FOR LINEAR KLEIN–GORDON EQUATIONS WITH TIME AND SPACE-DEPENDANT MASS
PublikacjaAllowing for space- and time-dependance of mass in Klein–Gordon equations re- solves the problem of negative probability density and of violation of Lorenz covariance of interaction in quantum mechanics. Moreover it extends their applicability to the domain of quantum cosmology, where the variation in mass may be accompanied by high oscillations....
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THIRD-ORDER EXPONENTIAL INTEGRATOR FOR LINEAR KLEIN–GORDON EQUATIONS WITH TIME AND SPACE-DEPENDANT MASS
PublikacjaAllowing for space- and time-dependance of mass in Klein–Gordon equations re- solves the problem of negative probability density and of violation of Lorenz covariance of interaction in quantum mechanics. Moreover it extends their applicability to the domain of quantum cosmology, where the variation in mass may be accompanied by high oscillations....
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Structural, physicochemical and anticancer study of Zn complexes with pyridyl-based thiazolyl-hydrazones
PublikacjaThiazolyl-hydrazones (THs) exhibit a wide spectrum of biological activity that can be enhanced by complexation with various metal ions. Zn(II) complexes with α-pyridine-1,3-TH ligands may represent an alternative to the standard platinum-based chemotherapeutics. In addition, they show photoluminescence properties and thus can be regarded as multifunctional materials. In this study, we synthesized and characterized three neutral...
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Analiza oddziaływań w kryształach związków zawierających w strukturze pierścień pirydynowy
PublikacjaMożliwość tworzenia się wiązań wodorowych jest kluczowym parametrem z punktu widzenia inżynierii kryształu, ponieważ wiązania wodorowe mają bezpośredni wpływ na strukturę oraz trwałość sieci krystalicznej. Głównym celem niniejszej rozprawy doktorskiej była analiza porównawcza wiązań wodorowych występujących w układach, zawierających w strukturze pierścień pirydynowy. Badane układy podzielono na: (1) układy ze związkami krzemosiarkowymi...
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Natural Deep Eutectic Solvents as Agents for Improving Solubility, Stability and Delivery of Curcumin
PublikacjaPurpose Study on curcumin dissolved in natural deep eutectic solvents (NADES) was aimed at exploiting their beneficial properties as drug carriers. Methods The concentration of dissolved curcumin in NADES was measured. Simulated gastrointestinal fluids were used to determine the concentration of curcumin and quantum chemistry computations were performed for clarifying the origin of curcumin solubility enhancement in NADES. Results NADES...
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Trade-offs in multiparty Bell-inequality violations in qubit networks
PublikacjaTwo overlapping bipartite binary input Bell inequalities cannot be simultaneously violated as this would contradict the usual no-signalling principle. This property is known as monogamy of Bell inequality violations and generally Bell monogamy relations refer to trade-offs between simultaneous violations of multiple inequalities. It turns out that multipartite Bell inequalities admit weaker forms of monogamies that allow for violations...
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Electrochemistry from first-principles in the grand canonical ensemble
PublikacjaProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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Eu2Mg3Bi4: Competing Magnetic Orders on a Buckled Honeycomb Lattice
PublikacjaThe honeycomb lattice and its derived variants provide information on modeling and designing quantum magnets. A novel magnetic material, Eu2Mg3Bi4, which stabilizes in a previously unknown buckled honeycomb lattice, was discovered by high-pressure and high-temperature methods. We report here on the synthesis exploration of pure single crystals, structural determination of the buckled honeycomb lattice of europium moments, and experimental observation...
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Wpływ mikrosfer-frakcji odpadów paleniskowych na mikrostrukturę i wybrane właściwości uzytkowe
PublikacjaIn this study, the microspheres samples were collected from national power station „Dolna Odra”. In this study, the following materials were used: Portland cement class 32,5R and aggregates of 2-8 and 8-16 fractions and natural sand with a maximum grain size of 2 mm and water. Concrete mixtures were made with microspheres additions of 15%, 25% and 40%. A constant water to binder ratio (w/b) of 0,52 was used throughout the investigation....
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Charakterystyka wybranych właściwości mikrosfer - frakcji popiołu lotnego - ubocznego produktu spalania węgla kamiennego
PublikacjaMikrosfery - drobna frakcja popiołów lotnych - powstają w procesie konwencjonalnego spalania węgli kamiennych. Ich zawartość w popiołach lotnych ze spalania różnych gatunków węgla zmieniać się może w szerokim zakresie: od 0,01 do 35,6 wag.%. Pod względem składu chemicznego, głównymi składnikami mikrosfer w formie tlenkowej jest krzem, glin i żelazo, stanowiące około 89% ich masy. Ich skład mineralny stanowią głównie kwarc i mulit....
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Soil and groundwater fecal contamination as a result of sewage sludge land application.
PublikacjaThe release of sludge-born bacteria and their further transport in subsurface was studied. The migration of bacteria was investigated in column experiments which were carried out under the conditions corresponding to naturally occurring extreme rainfall. Coal fly ash as well as coarse and medium grained sand, which properties are similar to the soils present in degraded areas, were used as column beds. Sewage sludge was applied...
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Nitrogen pathways in the environment.
PublikacjaPraca stanowi wprowadzenie do zbioru artykułów poświęconych wielorakim aspektom badań nad ścieżkami przenoszenia związków azotu, zagrożeniami z tego wynikającymi oraz metodami przeciwdziałania tym zagrożeniom. Przedstawiono w niej bardzo problematykę obiegu kołowego azotu w przyrodzie, zwracając szczególną uwagę na zakłócenia w tym obiegu, będące rezultatem różnorodnej działalności człowieka. Na tle aktualnego stanu wiedzy, krótko...
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Związki biogenne w osadach ściekowych - zagrożenie dla wód powierzchniowych- badania modelowe. W: I Kongres Inżynierii Środowiska. Materiały. Pod red. M. R. Dudzińskiej, A. Pawlowskiego. Lublin: Komit. Inż. Środow. PAN**2002 s. 533-543, 8 rys. 3 tab. bibliogr. 6 poz. Monografie Komitetu Inżynierii Środowiska Polskiej Akademii Nauk vol. 11.Opublikowano w 2003 r.
PublikacjaGospodarka osadowa w Polsce była przez wiele lat była problemem marginalnym. Obecnie zgodnie z ustawą o odpadach osady ściekowe zostały zakwalifikowane do odpadów. Jako odpady powinny zatem być poddane odzyskowi - poprzez stosowanie - lub unieszkodliwianiu - realizowanemu np. na drodze ich termicznego przekształcania. Warunki, jakie muszą być spełnione przy stosowaniu osadów ściekowych zostały określone w rozporządzeniu Ministra...
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Praktyczna ocena zalet i wad stosowania osadów ściekowych do rekultywacji terenów zdegradowanych technicznie.
PublikacjaPrzedstawiono wyniki badań ukierunkowanych na ocenę skuteczności rekultywacji przeprowadzonej na dwóch obszarach zdegradowanych technicznie: składowisku odpadów paleniskowych oraz wyrobisku pożwirowym. Podstawowym celem zrealizowanych prac było określenie chemicznego oddziaływania ustabilizowanych osadów ściekowych na środowisko gruntowe. Udowodniono glebotwórcze właściwości osadów ściekowych, a jednocześnie celowość i zasadność...
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Is the microfiltration process suitable as a method of removing suspended solids from rainwater?
PublikacjaDue to climate change and anthropogenic pressure, freshwater availability is declining in areas where it has not been noticeable so far. As a result, the demands for alternative sources of safe drinking water and effective methods of purification are growing. A solution worth considering is the treatment of rainwater by microfiltration. This study presents the results of selected analyses of rainwater runoff, collected from the...
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Laboratoryjne badania nad możliwością skażenia gruntów i wód podziemnych jako rezultatu stosowania osadów ściekowych
PublikacjaW pracy przedstawiono cenę zagrożeń związanych z możliwością skażenia gruntów i płytkich wód gruntowych w wyniku stosowania osadów ściekowych na mineralnych gruntach piaszczystych i na popiołach lotnych, o charakterystykach zbliżonych do niektórych terenów zdegradowanych technicznie. Uzyskane wyniki pozwoliły na prześledzenie dynamiki wymywania żywych komórek bakteryjnych z osadu ściekowego oraz ich dalszej retencji w materiale...
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Free randomness amplification using bipartite chain correlations
PublikacjaA 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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All Nonclassical Correlations Can Be Activated into Distillable Entanglement
PublikacjaWe devise a protocol in which general nonclassical multipartite correlations produce a physically relevant effect, leading to the creation of bipartite entanglement. In particular, we show that the relative entropy of quantumness, which measures all nonclassical correlations among subsystems of a quantum system, is equivalent to and can be operationally interpreted as the minimum distillable entanglement generated between the system...
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Jahn-Teller and related conical intersections in the benzene radical cation and the monofluoro derivate
PublikacjaThe multi-state multi-mode vibronic interactions in the benzene radical cation and its monofluoro derivative have been investigated theoretically, based on high-level electronic structure calculations for the system parameters and a quantum treatment of the nuclear motion. The available experimental data are well reproduced. The interplay of different vibronic coupling mechanisms is pointed out leading to multiple nonadiabatic...
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
PublikacjaAb initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer potential energy surfaces of the Li atom interacting with the LiCs molecule were calculated for these states. The lithium atom is placed at various distances and bond angles from the lithium-caesium dimer. Three-body nonadditive forces...
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Entanglement and Nonlocality are Inequivalent for Any Number of Parties
PublikacjaUnderstanding the relation between nonlocality and entanglement is one of the fundamental problems in quantum physics. In the bipartite case, it is known that these two phenomena are inequivalent, as there exist entangled states of two parties that do not violate any Bell inequality. However, except for a single example of an entangled three-qubit state that has a local model, almost nothing is known about such a relation in multipartite...
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Inequivalence of entanglement, steering, and Bell nonlocality for general measurements
PublikacjaEinstein-Podolsky-Rosen steering is a form of inseparability in quantum theory commonly acknowledged to be intermediate between entanglement and Bell nonlocality. However, this statement has so far only been proven for a restricted class of measurements, namely, projective measurements. Here we prove that entanglement, one-way steering, two-way steering, and nonlocality are genuinely different considering general measurements,...
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Binary-Encounter Model for Direct Ionization of Molecules by Positron-Impact
PublikacjaWe introduce two models for the computation of direct ionization cross sections by positron impact over a wide range of collision energies. The models are based on the binary-encounter-Bethe model and take into account an extension of the Wannier theory. The cross sections computed with these models show good agreement with experimental data. The extensions improve the agreement between theory and experiment for collision energies...
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Isolation and 3-dimensional Culture of Primary Murine Intestinal Epithelial Cells
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Dezintegracja niskotemperaturowa jako skuteczny sposób kondycjonowania osadów ściekowych
PublikacjaRozwój wysokoefektywnych metod biologicznego i chemicznego oczyszczania ścieków w ostatnich latach spowodował znaczący przyrost osadów poprodukcyjnych, których to zagospodarowanie, czy też unieszkodliwianie zaczęło stanowić poważny problem dla ich użytkowników. Dodatkowo wprowadzone w 2010 r. (Dz. U. z 2010 r. nr 137, poz. 924) zaostrzenie przepisów dot. metod i sposobów zagospodarowania osadów pościekowych przyczynia się do szukania...
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The possibilities of utilization of bottom sediments from fresh water fish farms on the base of legal status of biosludge utilization'
PublikacjaHodowle ryb łososiowatych są źródłem stosunkowo niewielkich ilości odpadów, jakim są osady denne, ale które stanowią istotny problem do rozwiązania dla eksploatatora obiektu. Przepisy prawne generalnie pomijają ten aspekt gospodarki odpadami. właściciele stawów hodowlanych radzą sobie z tymi osadami lepiej lub gorzej, ale przeważnie ich działania ukierunkowane są na tzw. przyrodnicze ich wykorzystanie - najczęściej w granicach...
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Vibrational excitation of acetylene by positron impact
PublikacjaVibrationally inelastic quantum calculations are carried out at low collision energies for the scattering of a beam of positrons off acetylene gaseous molecules. The normal mode analysis is assumed to be valid and the relative fluxes into the C–C and C–H symmetric vibrational modes are computed within a Body-Fixed (BF) formulation of the dynamics by solving the relevant vibrational Coupled Channels (VCC) equations. The clear dominance...
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Low-energy positron scattering from gas-phase uracil
PublikacjaQuantum 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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The influence of anchoring group position in ruthenium dye molecule on performance of dye-sensitized solar cells
PublikacjaThe effect of anchoring group position and, in consequence, the orientation of the ruthenium dye molecule on titania surface on the performance of dye-sensitized solar cells has been studied intensively. Three model ruthenium sensitizing dyes bearing carboxylic anchoring group in ortho, meta or para position were synthesized and well characterized by spectroscopic, electrochemical, photophysical and photochemical measurements....
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Entanglement of genuinely entangled subspaces and states: Exact, approximate, and numerical results
PublikacjaGenuinely entangled subspaces (GESs) are those subspaces of multipartite Hilbert spaces that consist only of genuinely multiparty entangled pure states. They are natural generalizations of the well-known notion of completely entangled subspaces, which by definition are void of fully product vectors. Entangled subspaces are an important tool of quantum information theory as they directly lead to constructions of entangled states,...
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Amplifying the Randomness of Weak Sources Correlated With Devices
PublikacjaThe problem of device-independent randomness amplification against no-signaling adversaries has so far been studied under the assumption that the weak source of randomness is uncorrelated with the (quantum) devices used in the amplification procedure. In this paper, we relax this assumption, and reconsider the original protocol of Colbeck and Renner using a Santha-Vazirani (SV) source. To do so, we introduce an SV-like condition...
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Production of singlet oxygen atoms by photodissociation of oxywater
PublikacjaQuantum chemical calculations are reported for the energies of the few lowest electronic singlet states of oxywater along dissociation of the oxygen-oxygen bond into water and singlet oxygen using multistate multireference second-order Møller–Plesset perturbation theory. We compute an energy of 21 kcal/mol to remove one oxygen atom in the lowest singlet state. The two lowest excited singlet states have vertical excitation energies...
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Predicting the viscosity and electrical conductivity of ionic liquids on the basis of theoretically calculated ionic volumes
PublikacjaSelected physical properties of the ionic liquids might be quantitatively predicted based on the volumes of the ions these systems are composed of. It is demonstrated that the ionic volumes calculated using relatively simple theoretical quantum chemistry methods can be utilised to estimate the viscosities and electrical conductivities of various commonly used ionic liquids. The fitting formulas of the exponential form are offered...