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Search results for: free energy calculations
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Determination of free tyrosine in equestrian supplements by LC–MS/MS and comparison of its quantity with total free amino acids content in view of doping control
PublicationThe reports on the probable beneficial impact of tyrosine (TYR) supplementation on performance enhancement have contributed to the growth of interest in TYR in equestrian sports field and related industries, such as the manufacture of dietary and nutritional supplements. In this study, the first attempt to the assessment of horses exposure to TYR during nutritional supplementation was demonstrated by quantification of unbound TYR...
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Structural properties of hypothetical CeBa2Cu3O7 compound from LSDA+DMFT calculations
PublicationThe hypothetical stoichiometric CeBa2Cu3O7 (Ce123) compound, which has not been synthesized as a single phase yet, was studied by the density functional theory (DFT). We utilized a method which merges the local spin density approximation (LSDA) with the dynamical mean-field theory (DMFT) to account for the electronic correlations. The LSDA+DMFT calculations were performed in the high-temperature range. The particular emphasis was...
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On the differential effect of temperature on the Nusselt-Rayleigh relationship in free convection
PublicationThe aim of and inspiration behind this paper was to explain the reasons, also observed by other researchers, of the discrepancy in the results of experimental free convection, which for small Rayleigh and Nusselt numbers in the initial phase of research can sometimes reach several hundred percent. These discrepancies decrease with increasing heating power and plate surface temperature, in proportion to the increase in Ra and Nu,...
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Simulation of the Dynamics of Renewable Energy Sources with Energy Storage Systems
PublicationThe intermittency of renewable energy sources (RES) constitutes a challenge for effective power system control. Fossil-fuel-based units offering ancillary power services to meet the short-term power imbalance are a financial and environmental burden for the society. Energy storage systems (ESS) can be the solution in view of the electricity market development and growing environmental concern. The major questions are, in what circumstances...
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Extending loophole-free nonlocal correlations to arbitrarily large distances
PublicationQuantum theory allows spatially separated observers to share nonlocal correlations, which enable them to accomplish classically inconceivable information processing and cryptographic feats. However, the distances over which nonlocal correlations can be realized remain severely limited due to their high fragility to noise and high threshold detection efficiencies. To enable loophole- free nonlocality across large distances, we introduce...
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Free convection of water-Al2O3 nanofluid from horizontal porous coated tube
PublicationThe main aim of the present study was to investigate the influence of nanoparticles on heat transfer coefficients during free convection of water-Al2O3 nanofluid from horizontal porous coated tube under atmospheric pressure for nanoparticle concentration of 0.01% by weight. Contrary to published data present study concerns on free convection of nanofluids in extensive, quiescent fluid.
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The Opening of Central and Eastern European Countries to Free Trade: A Critical Assessment
PublicationThree decades after the fall of the Berlin wall and one and a half decades after the Big Bang enlargement of the European Union (2004-2007), we revisit contrasting narratives about the benefit of both free trade and the EU enlargement for Central and Eastern European (CEE) countries. We distinguish old, pre-2004 EU countries from CEE countries that joined the EU in 2004-2007, as well as from the CEE countries that have not become...
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublicationThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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Modeling energy consumption of parallel applications
PublicationThe paper presents modeling and simulation of energy consumption of two types of parallel applications: geometric Single Program Multiple Data (SPMD) and divide-and-conquer (DAC). Simulation is performed in a new MERPSYS environment. Model of an application uses the Java language with extension representing message exchange between processes working in parallel. Simulation is performed by running threads representing distinct process...
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ENERGY STORAGE IN COMPRESSED AIR – SOLUTION SUPPORTING RENEWABLE ENERGY SOURCES
PublicationThis article presents a brief description of a power system, the current national power system daily load, the use of wind power as a renewable energy source and its share in the national load. It also discusses the methods for storing energy, their characteristics and possible solutions. The power storage and generation solution proposed in the article is based on the collaboration between a gas turbine and an air storage system....
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Directions of Energy Transition of Uzbekistan
PublicationThe aim of the paper is to present the changes in the Uzbekistan energy market over the past few years. Uzbekistan is self-sufficient in terms of energy resources, the exploitation of which will last for many years. In 2019, the government adopted the "Concept Note ensuring electricity supply in Uzbekistan in 2020-2030" strategy, which announced the modernization of gas and coal power plants and the construction of new energy facilities,...
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Ukraine’s Energy Security in Strategies
PublicationDuring the independence period, the Ukrainian government has published two energy security strategies. The first strategy was adopted in 2006 and the second one in 2016. Both documents provided a similar definition of energy security. The aims of the first strategy, covering the period 2006–2030, were the restructuring of the fuel and energy complex using new technologies, increase of energy efficiency and ensuring market prices...
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Novel Analytic-Numerical Model of Free Convection: with Leading Edge Considered
PublicationA novel solution of the free convection boundary problem is represented in analytical form for velocity and temperature for an isothermal vertical plate, as an example. These fields are built as a Taylor Series in the x coordinate with coefficients as functions of the vertical coordinate (y). We restrict ourselves by cubic approximation for both functions. The basic Navier-Stokes and Fourier-Kirchhoff equations and boundary conditions...
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Mechanochemical Energy Transduction during the Main Rotary Step in the Synthesis Cycle of F1-ATPase
PublicationF1-ATPase is a highly efficient molecular motor that can synthesize ATP driven by a mechanical torque. Its ability to function reversibly in either direction requires tight mechanochemical coupling between the catalytic domain and the rotating central shaft, as well as temporal control of substrate binding and product release. Despite great efforts and significant progress, the molecular details of this synchronized and fine-tuned...
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Innovative system for energy collection and management integrated within a photovoltaic module
PublicationThe dynamic development of battery technology and design based on the flow of lithium ions, mainly driven by the needs of the automotive industry, leads to the conclusion that these batteries are becoming a more viable alternative to traditional lead-acid batteries. Their use is driven by the ability to quickly charge and discharge, a higher durability, maintenance-free operation, much smaller dimensions and lighter weight. The...
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Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations
PublicationThe high-resolution vacuum ultraviolet photoabsorption spectrum of isobutyl acetate, C6H12O2, is presented here and was measured over the energy range 4.3–10.8 eV (290–115 nm). Valence and Rydberg transitions with their associated vibronic series have been observed in the photoabsorption spectrum and are assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. The measured...
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Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate
PublicationThe high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5−10.7 eV (275.5−116.0 nm). 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 strengths. Also, the photoabsorption cross sections...
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Diagnosing marine turbine engines through energy characteristics of their flow section
PublicationThe aim of the performed research was to develop of diagnostic method of the flow section of a marine turbine combustion engine based on the level of delamination of its energy characteristics. The here adopted diagnostic model provides for a formulation of the evaluation of the technical conditions based on the measurements of the parameters of the thermodynamic medium in the characteristic control cross-sections of the engine...
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Reactive extrusion of biodegradable aliphatic polyesters in the presence of free-radical-initiators: A review
PublicationNowadays, growing attention is being paid to the environment and sustainability, what fully justified research works focused on modification of biodegradable polymers and their composites. In this field of research reactive extrusion seems to be the most promising approach, which fits well to sustainable development strategy. In In the present work, the in-situ modification of biodegradable aliphatic polyesters and the compatibilization...
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Logistical Aspects of Energy Conversion Efficiency in Marine Steam Power Plants in Off-Design Conditions
PublicationThe paper presents logistical aspects of energy conversion efficiency in off-design conditions. The main part of the article is based on results of thermodynamic calculation for large propulsion steam turbine under partial loads. Calculations are made on extended mathematical model of two proposed steam turbine thermodynamic cycles using Stodola’s cone law. The conclusion based on calculation re-sults contains importance of off-design...
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Ab initio and density functional theory calculations of proton affinities for volatile organic compounds
PublicationThe Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets and the density function theory-B3LYP have been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for volatile organic compounds. Calculated values of proton affinities are compared with experimental data.
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PAYMENT TRANSACTIONS’ ENERGY EFFICIENCY
PublicationThe payment system and infrastructure is a sector that is not given enough attention today in the context of energy efficiency. This sector plays a big role in organizing and ensuring money circulation and funds. It has its value consisting on the one hand of the cost of payment equipment, infrastructure, payment instruments. On other hand, its value consists of the cost of energy for their manufacture and maintenance. The European...
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Techno-economic evaluation of combined cycle gas turbine and a diabatic compressed air energy storage integration concept
PublicationMore and more operational flexibility is required from conventional power plants due to the increasing share of weather-dependent renewable energy sources (RES) generation in the power system. One way to increase power plant’s flexibility is integrating it with energy storage. The energy storage facility can be used to minimize ramping or shutdowns and therefore should lower overall generating costs and CO2 emissions. In this article,...
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Free-surface elevation in open vortex flow controls
PublicationRotational form of fluid motion is complex, but very important in science and technology. The paper is devoted to the hydraulic mechanism of flow in open vortex flow controls, or regulators. The velocity field was described by the kinematic model, and intensity of rotation - by means of the energy balance between the input and dissipation. In consequence some algebraic expresions were obtained, which can be useful in approximated...
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Effect of Temperature and Nanoparticle Concentration on Free Convective Heat Transfer of Nanofluids
PublicationA theoretical analysis of the influence of temperature and nanoparticle concentration on free convection heat transfer from a horizontal tube immersed in an unbounded nanofluid was presented. The Nusselt (Nu) number and heat transfer coefficient were parameters of the intensity of the convective heat transfer. For free convection, the Nu number was a function of the Rayleigh (Ra) number and Prandtl (Pr) number. The Rayleigh (Ra)...
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Free Convection Heat Transfer from Horizontal Cylinders
PublicationThe results of experimental investigation of free convection heat transfer in a rectangular container are presented. The ability of the commonly accepted correlation equations to reproduce present experimental data was tested as well. It was assumed that the examined geometry fulfils the requirement of no-interaction between heated cylinder and bounded surfaces. In order to check this assumption recently published correlation equations...
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Optimization of Train Energy Cooperation Using Scheduled Service Time Reserve
PublicationThe main aim of the paper was to develop an innovative approach to the preliminary estimation possibility of train energy cooperation based on data from timetables, without traction calculations. The article points out the need to strive for sustainable and environmentally friendly transport. It was pointed out that rail transport using electric traction is one of the more ecological branches of transport. It also offers a number...
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Thermal energy storage using stearic acid as PCM material
PublicationThis work presents an experimental study of thermal energy storage by use of PCM. The aim of the study was to establish the influence of different inlet temperature of heat transfer fluid (HTF) and different Reynolds number of HTF on intensity of charging process. The PCM used in this study was stearic acid and water was used as HTF. A copper helical coil mounted in cylindrical container served as a heat transfer surface.
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Comparison of Renewable Energy Sources in ‘New’ EU Member States in the Context of National Energy Transformations
PublicationThe European Union strives to create sustainable, low-carbon economies; therefore, energy policies of all member states should move towards renewable energy sources (RES). That concerns also the so-called new EU member states. These countries, on the one hand, are characterized by significant historical similarities in terms of post-communist legacy and adopted development strategies linked with the EU membership, and on the other...
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Hybrid energy storage forelectric multiple units to operate at the partially electrified line Gdynia -Hel
PublicationThe article presents calculations enabling the selection of an on-board energy storage device to replace diesel-powered trains with modern storage multiple units on the example railway line Gdynia Główna -Hel. The pioneering and currently used storage electric multiple units, mainly in Europe, were presented. The condensed results of the inventory of the line in question, including the technical condition...
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Analysis of Crash Computation on a Basis of the Pronciple of Linear Momentum and Kinetic Energy
PublicationThe article shows the calculation of a vehicle crash with a fixed pile, modelled by the finite element method. There were compared during the crash simulations changes in kinetic energy, as well as – changes in linear momentum and its derivative, with respect to time. Calculations were made in the HyperWorks CAE software environment. The obtained results show influence of various body parts and devices of the deceleration on...
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Energy roadmaps for the city of Gdańsk
PublicationThe paper presents energy roadmaps for Gdansk in three time perspectives: short-term (the year 2012), medium-term (2020) and long-term (2050). The paper is a result of the research carried out under the PATH-TO-RES project, supported by European Commission programme SAVE Altener Intelligent Energy Europe.
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Potential energy curves, transition and permanent dipole moments of KRb
PublicationWe present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is extended to higher excitations, including the single-excited K(4s2S)+Rb(5d2D) and double-excited K(4p2P)+Rb(5p2P) atomic limits. Larger distances between nuclei are also taken into account. New...
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Renewable Energy in the Pomerania Voivodeship—Institutional, Economic, Environmental and Physical Aspects in Light of EU Energy Transformation
PublicationIn the era of globalization and rapid economic growth, affecting most world economies, increased production and consumption are leading to higher levels of energy production and consumption. The growing demand for energy means that energy resources from conventional sources are not sufficient; moreover, its production generates high costs and contributes to the emission of greenhouse gases and waste. In view of the above, many...
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Integrated plant-wide modelling for evaluation of the energy balance and greenhouse gas footprint in large wastewater treatment plants
PublicationModern wastewater treatment plants (WWTPs) should maintain a balance between three combined sustainability criteria, including effluent quality, energy performance and greenhouse gas (GHG) emissions. All of these criteria were considered in the integrated plant-wide model developed in this study. The proposed model incorporates new features, including: (i) the addition of associated facilities to the overall energy balance and...
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Improved energy management technique in pipe-embedded wall heating/cooling system in residential buildings
PublicationEffective and environmentally responsive techniques of energy management in residential buildings are desirable for the resulting reduction of energy costs and consumption. In this paper, an improved and efficient technique of energy management in pipe-embedded wall heating/cooling systems, called the Thermal Barrier, is described. Specifically, the Thermal Barrier is a technique focused on the management and control of heat...
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Improved energy management technique in pipe-embedded wall heating/cooling system in residential buildings
PublicationEffective and environmentally responsive techniques of energy management in residential buildings are desirable for the resulting reduction of energy costs and consumption. In this paper, an improved and efficient technique of energy management in pipe-embedded wall heating/cooling systems, called the Thermal Barrier, is described. Specifically, the Thermal Barrier is a technique focused on the management and control of heat supply...
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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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A general approach to study molecular fragmentation and energy redistribution after an ionizing event
PublicationWe propose to combine quantum chemical calculations, statistical mechanical methods, and photoionization and particle collision experiments to unravel the redistribution of internal energy of the furan cation and its dissociation pathways. This approach successfully reproduces the relative intensity of the different fragments as a function of the internal energy of the system in photoelectron–photoion coincidence experiments and...
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Green, blue and energy in cities
PublicationThe article refers to the implementation of blue-green infrastructure in cities, with particular emphasis on the aspect of rainwater and energy management. The article presents the advantages of water and greenery in the city and gives examples of engineering solutions used, both the more popular (including green and biosolar roofs), as well as experimental solutions, which are an interesting and necessary alternative in the era...
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Inhibition of the granular anammox process by the high concentration of free ammonia.
PublicationHigh concentrations of ammonia and nitrite, typical for reject water treatment in the anammox process with the use of high temperatures and pH, may cause free ammonia (FA) inhibition. In this study, the inhibitory effect of FA on anammox process rate was investigated in a bench-scale sequencing batch reactor (SBR) with granular anammox biomass. Results of the study present that the anammox process could be successfully operated...
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Efficiency of Biomass Energy used for Heating Purposes in a Residential Building in Comparison with other Energy Sources
PublicationThis paper discusses the results of analyses investigating the energy efficiency of biomass in comparison with other popular energy carriers used for heating, ventilation and water heating in residential buildings. The compared energy sources were lignite, natural gas, heating oil and electricity produced by conventional and integrated power generation plants. The most efficient variant relying on biomass and the least efficient...
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Computer-Aided Calculations of Earth Potential Rise in High Voltage Overhead Lines
PublicationHigh voltage overhead power lines with earth wires comprise towers made of conductive material. Some towers are in locations where people can be expected to be either for a long time or for a short time but very frequently. Evaluation of shock hazard near such towers requires calculation of line-to-earth short-circuit current, earth current and especially earth potential rise. Number of towers in high voltage power lines can exceed...
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JMATRIX - a package for relativistic J-matrix calculations in elastic scattering of electrons from model potentials
PublicationWe present a software package JMATRIX, consisting of two computer codes written in FORTRAN 95 and parallelized with OpenMP, implementing the so-called J-matrix method, applied to elastic scattering of electrons on the radial potential, vanishing faster than Coulomb one. In the J-matrix method, physical scattering problem is replaced by using well-defined model, which is solved analytically. Presented software implements both non-relativistic...
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Low-energy positron collisions with water: elastic and rotationally inelastic scattering
PublicationDifferential, integral and momentum transfer cross sections for the vibrationally elastic and rotationally inelastic scattering of positrons from water at low collision energy (E ≤ 10 eV) are reported. Several models within the R-matrix method are used to compute the body-fixed T-matrices, while the scattering calculations are performed within the fixed-nuclei approximation corrected with the standard Born-closure formula. These...
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Optical fiber aptasensor for label-free bacteria detection in small volumes
PublicationHighly sensitive devices for fast bacteria detection are sought to be developed with the task of quantifying the worldwide problem of pathogenic bacteria and thus helping to take control over spreading bacterial infections. This work concerns a sensing solution based on microcavity in-line Mach-Zehnder interferometer (μIMZI) induced in an optical fiber. Such a device exhibits ultrahigh sensitivity to refractive index changes...
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INFLUENCE OF THE HULL SHAPE ON THE ENERGY DEMAND OF A SMALL INLAND VESSEL WITH HYBRID PROPULSION
PublicationRecently, there has been a significant development of ecological propulsion systems, which is in line with the general trend of environmentally friendly “green shipping”. The main aim is to build a safe, low-energy passenger ship with a highly efficient, emission-free propulsion system. This can be achieved in a variety of ways. The article presents the main problems encountered by designers and constructors already at the stage...
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Low-energy positron scattering from gas-phase pyrimidine: A quantum treatment of the dynamics and a comparison with experiments
PublicationWe are reporting detailed quantum scattering calculations that describe the diffusion of a beam of low-energy positrons interacting with the pyrimidine target as a gas-phase partner. The calculations have employed an essentially ab initio model for the short-range correlation interaction and for the electrostatic interaction of an impinging positron and the electron+nuclear structure of the target molecule at its equilibrium geometry.
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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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Diamond investments – Is the market free from multiple price bubbles?
PublicationThe following study aims to investigate whether multiple price bubbles, in which the quoted market price of diamonds significantly deviates from their fundamental value, exist in the diamond market. It was conducted using ADF, SADF and GSADF tests, with the latter found to be an optimal form of evaluating the analysed issue. The presented results support the conclusion that the diamond market is not free from periods defined as...