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NbIr 2 B 2 and TaIr 2 B 2 – New Low Symmetry Noncentrosymmetric Superconductors with Strong Spin–Orbit Coupling
PublicationSuperconductivity was first observed more than a century ago, but the search for new superconducting materials remains a challenge. The Cooper pairs in superconductors are ideal embodiments of quantum entanglement. Thus, novel superconductors can be critical for both learning about electronic systems in condensed matter and for possible application in future quantum technologies. Here two previously unreported materials, NbIr2B2...
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Unifying Aspects of Generalized Calculus
PublicationNon-Newtonian calculus naturally unifies various ideas that have occurred over the years in the field of generalized thermostatistics, or in the borderland between classical and quantum information theory. The formalism, being very general, is as simple as the calculus we know from undergraduate courses of mathematics. Its theoretical potential is huge, and yet it remains unknown or unappreciated.
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Stark effect of atomic helium singlet lines
PublicationWe present experimental and theoretical investigations of the He spectral series 2S1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) and 2P1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) in electric fields up to 1635 kV/cm. Apart from the allowed transitions with |ΔL|=1, the transitions with |ΔL|=0,2,3,…-without field strictly forbidden-were observed. Several He patterns become similar to hydrogen patterns, which means they are nearly symmetric and show in higher fields...
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Information content of systems as a physical principle
PublicationTo explain the conceptual gap between classical and quantum and other, hypothetical descriptions of the world, several principles have been proposed. So far, all these principles have not explicitly included the uncertainty relation. Here we introduce an information content principle ( ICP ) which represents a constrained uncertainty principle. The principle, by taking into account the encoding and decoding properties of a single physical...
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Duhem and Natanson: Two Mathematical Approaches to Thermodynamics
PublicationIn this article, the previously unrecognized contributions of Pierre Duhem and Ladislavus Natanson in thermodynamics are shown. The mathematical remodelling of a few of their principal ideas is taken into consideration, despite being neglected in the literature. To emphasize these ideas in an appropriate epistemological order, it would be crucial to first revalue and reconstruct some underrepresented parts of the proceedings process...
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Analytical progress on symmetric geometric discord: Measurement-based upper bounds
PublicationQuantum correlations may be measured by means of the distance of the state to the subclass ofstates having well defined classical properties. In particular, a geometric measure of asymmetricdiscord [Daki´c et al., Phys. Rev. Lett. 105, 190502 (2010)] was recently defined as the Hilbert-Schmidt distance of a given two-qubit state to the closest classical-quantum (CQ) correlated state.We analyze a geometric measure of symmetric...
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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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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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Computed vibrational excitation ofCF4by low-energy electrons and positrons: Comparing calculations and experiments
PublicationQuantum calculations for the excitation of the asymmetric modes of the CF4 target gas, ν3 and ν4, by impact of low-energy electrons and positrons are carried out in the energy range around 1 eV and are compared with recent experimental findings. The similarities and differences between the two types of projectiles, and the two different modes, are analyzed and discussed vis à vis the present accord with the experimental results.
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Investigation on Filaments for 3D Printing of Nasal Septum Cartilage Implant
PublicationSeptoplasty is a widely used method in treating deviated septum. Although it is successfully implemented, there are problems with excessive bleeding, septal perforation, or infections. The use of anatomically shaped implants could help overcome these problems. This paper focuses on assessing the possibility of the usage of a nasal septum cartilage implant 3D printed from various market-available filaments. Five different types...
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Enhancement of the Magnetic Coupling in Exfoliated CrCl 3 Crystals Observed by Low‐Temperature Magnetic Force Microscopy and X‐ray Magnetic Circular Dichroism
PublicationMagnetic crystals formed by 2D layers interacting by weak van der Waals forces are currently a hot research topic. When these crystals are thinned to nanometric size, they can manifest strikingly different magnetic behavior compared to the bulk form. This can be the result of, for example, quantum electronic confinement effects, the presence of defects, or pinning of the crystallographic structure in metastable phases induced by...
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Impact of dyes isomerization effect on the charge transfer phenomenon occurring on the dye/nanosemiconductor interface
PublicationThe present work aimed to find the answer how does the isomerization of the Ru based dyes affect the overall photon-to-current efficiency of the DSSCs and to explain the charge transfer phenomenon occurring on the dye/ nanosemiconductor interface. Therefore, electronic and optical properties of three bipyridine derivatives anchored on the TiO2 electrode were investigated by computational simulations based on quantum chemistry codes...
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PROBLEMY RACJONALNEGO ZASTOSOWANIA SYSTEMÓW DIAGNOZUJĄCYCH DO PODEJMOWANIA DECYZJI W FAZIE EKSPLOATACJI URZĄDZEŃ ENERGETYCZNYCH Z UWZGLĘDNIENIEM ZAGADNIEŃ KWANTOWYCH
PublicationW rozdziale przedstawiono najistotniejsze problemy pojawiające się w fazie projektowania, wytwarzania i eksploatacji systemów diagnozujących (SDG) urządzeń energetycznych (będących systemami diagnozowanymi – SDN), w przypadku przysposabiania ich do opracowania finalnej diagnozy eksploatacyjnej. Przestawiono opisową i formalną interpretację pojęcia systemu diagnozującego (SDG). Zaproponowano modele procesu diagnozowania urządzeń...
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Unraveling the role of boron dimers in the electrical anisotropy and superconductivity in boron-doped diamond
PublicationWe 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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Light-improved glucose sensing on ordered Au-Ti heterostructure
PublicationNon-enzymatic electrochemical platforms sensitive towards glucose presence have attracted a worldwide attention during last decades. We report on influence of solar light onto response of gold-titanium heterostructures prepared via controllable approach. The material based on Au nanoparticles orderly distributed over the structured titanium foil was obtained by electrochemical anodization followed by chemical etching, magnetron...
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A Flexible Nafion Coated Enzyme‐free Glucose Sensor Based on Au‐dimpled Ti Structures
PublicationThe detection of glucose at low concentrations using electrochemical sensors is of great importance due to the possibility of using different human body fluids than blood, such as e.g. urine, saliva, sweat or tears. The interest behind those biofluids is related to their utility in non-invasive sugar determination. In this work, we present flexible, fully biocompatible electrode material based on Au nanoparticles immobilized onto...
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Experimental Extraction of Secure Correlations from a Noisy Private State
PublicationWe 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
PublicationThe 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
PublicationFractals 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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Intramolecular transformation of an antifungal antibiotic nystatin A1 into its isomer, iso-nystatin A1 - structural and molecular modeling studies
PublicationNystatin 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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Experimental generation of complex noisy photonic entanglement
PublicationWe 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
PublicationThe 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
PublicationThe 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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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe 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
PublicationCrystal 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
PublicationCrystal 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
PublicationCrystal 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
PublicationTwo 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
PublicationIn 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
PublicationTested 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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BeesyCluster: Architektura systemu dostepu do sieci klastrów przez WWW/Web Services.
PublicationNiniejsza praca prezentuje system BeesyCluster, który integruje rozproszone klastry poprzez łatwy w użyciu interfejs WWW oraz Web Services. W wersji pilotowej system uruchomiony zostanie w charakterze portalu dostępowego do klastrów gdańskiej sieci TASK wykorzystując 128-procesorowy klaster galera oraz 256-procesorowy 64-bitowy klaster holk jak również laboratoria badawcze Wydziału ETI Politechniki Gdańskiej. System, oparty o technologię...
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Strahlungslose Übertragung von Elektronenanregungsenergie bei zweidimensionalen lumineszierenden Systemen
PublicationAn 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
PublicationRecently 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
PublicationAllowing 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
PublicationAllowing 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
PublicationThiazolyl-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
PublicationMożliwość 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
PublicationPurpose 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
PublicationTwo 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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Eu2Mg3Bi4: Competing Magnetic Orders on a Buckled Honeycomb Lattice
PublicationThe 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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Electrochemistry from first-principles in the grand canonical ensemble
PublicationProgress 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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All Nonclassical Correlations Can Be Activated into Distillable Entanglement
PublicationWe 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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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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Entanglement and Nonlocality are Inequivalent for Any Number of Parties
PublicationUnderstanding 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
PublicationEinstein-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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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
PublicationAb 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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Jahn-Teller and related conical intersections in the benzene radical cation and the monofluoro derivate
PublicationThe 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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Binary-Encounter Model for Direct Ionization of Molecules by Positron-Impact
PublicationWe 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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Phospholipid-functionalized gold electrode for cellular membrane interface studies - interactions between DMPC bilayer and human cystatin C
PublicationThis work describes the electrochemical studies on the interactions between V57G mutant of human cystatin C (hCC V57G) and membrane bilayer immobilized on the surface of a gold electrode. The electrode was modified with 6-mercaptohexan-1-ol (MCH) and 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC). DMPC was used as a membrane mimetic for monitoring electrochemical changes resulting from the interactions between the functionalized...
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Studies on Silver Ions Releasing Processes and Mechanical Properties of Surface-Modified Titanium Alloy Implants
PublicationDispersed silver nanoparticles (AgNPs) on the surface of titanium alloy (Ti6Al4V) and titanium alloy modified by titania nanotube layer (Ti6Al4V/TNT) substrates were produced by the chemical vapor deposition method (CVD) using a novel precursor of the formula [Ag5(O2CC2F5)5(H2O)3]. The structure and volatile properties of this compound were determined using single crystal X-ray diffractometry, variable temperature IR spectrophotometry...