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Search results for: electronic%20transition%20dipole%20moment%20function
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ANALYSIS AND OPTIMIZATION OF ELECTRIC VEHICLE CHARGING PROCESSES IN TRANSACTIVE ENERGY SYSTEMS
PublicationThe implementation of smart charging of electric vehicles allows operators of local power networks and electricity suppliers to implement new business models for the interaction of electric vehicles with the network. In addition to the optimal selection of Microgrid capacities when charging electric vehicles, it is also important to use different charging methods. To satisfy the interests of all participants of local systems from...
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Isomer effects on the total cross section for electron scattering from C4F6molecules.
PublicationZmierzono całkowity przekrój czynny (TCS) na rozpraszanie elektronów na drobinach 1,3-C4F6. Pomiary przeprowadzono w zakresie energii elektronu od 0,6do 370 eV. Wyniki porównano z TCS otrzymanym poprzednio dla 2-C4F6. Stwierdzono wpływ różnic strukturalnych na otrzymane energetyczne zależności TCS (tzw. efekt izomeryczny).
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Cross section calculations for electron scattering from DNA and RNA bases.
PublicationPoliczono różniczkowy i scałkowany przekrój czynny na rozproszenie sprężyste elektronów (w przybliżeniu atomów niezależnych) na uracylu, cytozynie, guaninie, adeninie i tyminie w zakresie energii od 50-4000 eV. W przybliżeniu modelu BEB policzono również przekroje czynne na jonizację tych molekuł.
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Modelling of axial magnetic field effect on electric arc in ablation capillaries
PublicationBadano wpływ osiowego pola magnetycznego na łuk elektryczny w kapilarze ablacyjnej o średnicy do 3 mm. Wyniki porównywano z kapilarą ceramiczną. Łuk zasilany był z baterii kondensatorów prądem do około 1200 A. Stosowano pole magnetyczne wolnozmienne oraz wysokoczęstotliwościowe o indukcji do 10 T. Stwierdzono nawet 3-krotny wzrost napięcia łukowego pod wpływem osiowego pola magnetycznego w kapilarze gazującej, przy braku reakcji...
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Elastic electron scattering by argon in the vicinity of the high-energy critical minimum.
PublicationZostały obliczone różniczkowe przekroje czynne na sprężyste rozpraszanie elektronów na argonie. Przedział energetyczny rozpraszanych elektronów został tak dobrany, aby zbadać położenie tzw. minimum krytycznego.
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Cross sections for electron scattering from selected components of DNA and RNA
PublicationWykorzystując metodę atomów niezależnych obliczono różniczkowe i całkowite przekroje czynne na sprężyste rozproszenie elektronów na wybranych drobinach, będących analogami składników DNA i RNA. Przekroje te obliczono w zakresie energii zderzenia od 50eV do 200 eV dla następujących drobin: C4H8O, C4H8O2, C5H10O2 oraz H3PO4. Przy użyciu metody BEB (binary-ecounter Bethe method) dla powyższych związków obliczono również przekroje...
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Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters
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Critical behaviour of the smectic A*–C* phase transition and electroclinic effect of ferroelectric liquid crystals with terphenyl rigid core
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Mathematical modeling and prediction of pit to crack transition under cyclic thermal load using artificial neural network
PublicationThe formation of pitting is a major problem in most metals, which is caused by extremely localized corrosion that creates small holes in metal and subsequently, it changes into cracks under mechanical load, thermo-mechanical stress, and corrosion process factors. This research aims to study pit to crack transition phenomenon of steel boiler heat tubes under cyclic thermal load, and mathematical modeling...
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O-substituted tetrahydroxamate derivatives of p-tert-butylcalix[4]arene as receptors for transition and heavy metal cations
PublicationTetrasubstituted O-hydroxamate derivatives of p-tert-butylcalix[4]arene were applied as active materials in ion-selective membrane electrodes and were tested towards Pb-selectivity. The electrodes gave near-Nernstian characteristics for Pb2+ cations. The selectivity coefficients were determined. The influence of plasticizer on the electrode behaviour was studied. The dependence of the chemical structure on selectivity coefficients...
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The influence of transition metals (Fe, Co) on the structural, magnetic and optical properties of TiO2 nanoparticles synthesized by the hydrothermal method
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Can Grand Design Doctrines Go Well with Locally Reinvented Urbanisms? Notes from Polish Cities in Transition
PublicationThe text explores how New Urbanism ideas, a comprehensive global design doctrine, transgress into the context of Polish planning practice. New Urbanism is considered through the perspective of the decentralization of a discussion on a planning policy and a modernization of a State, resulting form its post-Socialist urban change. In the text, New Urbanism is understood as a neotraditionalist movement i.e. drawing from the pre-modernist...
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Architects and urban planners in the face of energy transition - smart cities energy aspects in shaping building structures and cities
PublicationContemporary architects and urban planners are facing steadily increasing challenges. The growing problems around environmental issues, shrinking natural resources and climate action are just some of them. Currently, planning should also include balancing with all the aspects of sustainable development such as not only the environmental issues, but also social and economic ones. How to meet them in the era of energy transition...
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Application of Open-Hardware-Based Solutions for Rapid Transition From Stationary to the Remote Teaching Model During Pandemic
PublicationWhile research indicates usefulness of remote laboratories in teaching of digital hardware systems, their main application is to complement stationary classes. This work presents a low-cost, scalable architecture that supports rapid transformation of teaching to a model based solely on remote access mechanisms. Background: Adaptation of online laboratory solutions from the literature to en-masse teaching of digital circuits is...
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Poverty and social exclusion in the transition Baltic States during the implementation of the European Union Lisbon Strategy - comparative analysis
PublicationThe problem of poverty and social exclusion in the Baltic States generates serious social, economic and political consequences. The scope of the analysis includes primarily the scale and structure of poverty and social exclusion in the Baltic Region in the years 2004-2010 in the context of the Lisbon Strategy of the European Union. The results show that during the transition and implementation of the Lisbon Strategy, the problem...
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Organic pollutants photodegradation increment with use of TiO2 nanotubes decorated with transition metals after pulsed laser treatment
PublicationAmong various titanium(IV) oxide (TiO2, titania) structures, 1D nanotubes (TiO2 NTs) produced during the two-electrode anodization process, are extensively utilized in sensors or supercapacitors as well as in photo(electro)catalytic water splitting. However, due to wide bandgap and fast electron-hole recombination additional modifications, mostly concerned on materials surface, are required. According to the recent research, TiO2...
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Molecular modelling of transition state analogue inhibitors of glucosamine-6-P synthase and glucose-6-P isomerase.
PublicationStruktura kompleksu 2-amino-2-deoksy-D-glucitolo-6-P (ADGP) z centrum aktywnym syntazy GlcN-6-P z E. coli została wykorzystAna jako punkt wyjścia do modelowania molekularnego analogów ADGP. Używając programu GROMOS96 wygenerowano konformacje analogów o najniższych energiach wewnętrznych, które następnie ''dokowano'' w centrum aktywnym enzymu. Dokonano syntezy wybranych związków i określono parametry kinetyczne i termodynamiczne...
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Quasi-exact solutions for two interacting electrons in two-dimensional anisotropic dots
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Correlated electrons and transport in a quantum point contact and in a double-quantum-dot system
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Theoretical Study of Damage to DNA by 0.2−1.5 eV Electrons Attached to Cytosine
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Theoretical and experimental study on scattering of low-energy electrons by dimethyl and diethyl ethers
PublicationWe report a joint theoretical and experimental investigation on low-energy electron scattering by dimethyl and diethyl ethers. The experimental elastic differential cross sections were measured at impact energies from 1 eV up to 30 eV and scattering angle range of 10◦ to 130◦. Theoretical elastic differential, integral and momentum-transfer cross sections are calculated at impact energies up to 30 eV, employing the Schwinger multichannel...
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Interaction of 4-nitrothiophenol with low energy electrons: Implications for plasmon mediated reactions
PublicationThe reduction of 4-nitrothiophenol (NTP) to 4-4′-dimercaptoazobenzene (DMAB) on laser illuminated noble metal nanoparticles is one of the most widely studied plasmon mediated reactions. The reaction is most likely triggered by a transfer of low energy electrons from the nanoparticle to the adsorbed molecules. Besides the formation of DMAB, dissociative side reactions of NTP have also been observed. Here, we present a crossed electron-molecular...
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Relativistic multiconfiguration method in low energy scattering of electrons from xenon atoms.
PublicationPo raz pierwszy dokonano obliczeń różniczkowych przekrojów czynnych na sprężyste rozpraszanie elektronów na atomach ksenonu przy użyciu relatywistycznej wersji metody wielokonfiguracyjnej.
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Relativistic multiconfiguration method in low-energy scattering of electrons from argon atoms
PublicationPo raz pierwszy zaprezentowano wyniki obliczeń różniczkowych przekrojów czynnych relatywistyczną wersją metody wielokonfiguracyjnej.
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Combined Spectroscopic Methods of Determination of Density of Electronic States: Comparative Analysis of Diffuse Reflectance Spectroelectrochemistry and Reversed Double-Beam Photoacoustic Spectroscopy
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The Verification of the Usefulness of Electronic Nose Based on Ultra-Fast Gas Chromatography and Four Different Chemometric Methods for Rapid Analysis of Spirit Beverages
PublicationSpirit beverages are a diverse group of foodstuffs. They are very often counterfeited which cause the appearance of low quality products or wrongly labelled products on the market. It is important to find a proper quality control and botanical origin method enabling the same time preliminary check of the composition of investigated samples, which was the main goal of this work. For this purpose, the usefulness of electronic nose...
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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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Use of electronic nose for quality assessment of agricultural ethanol distillates Wykorzystanie elektronicznego nosa do oceny jakości etanolowych destylatów rolniczych
PublicationPrzedstawiono wyniki badań oceny jakości destylatów rolniczych za pomocą prototypu elektronicznego nosa, wyposażonego w zestaw 6 półprzewodnikowych czujników. Frakcję lotną próbek destylatu rolniczego wytwarzano za pomocą procesu barbotażu. Klasyfikację próbek do odpowiedniej klasy jakości, przeprowadzano przy użyciu funkcji dyskryminacyjnych: liniowej i kwadratowej wspartej metodą kroswalidacji. Na podstawie przeprowadzonych...
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Application of electronic nose based on fast GC for comparison of aroma profiles of homemade cherry "Nalewka" made with addition of different amount of sugar
PublicationNalewka is a traditional Polish homemade spirit beverage and there are many different recepies for the production of nalewkas. However, it is not knownwhat amount of sugar can have influence of their aroma profiles. There is little information on the comparison of aroma profiles of Polish cherry nalewkas made with addition of different amount of sugar. For this purpose electronic nose based on fast GC has been used. Electronic...
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Application of electronic nose based on fast GC for comparison of aroma profiles of homemade cherry "Nalewka" made with addition of different amount of sugar
PublicationNalewka is a traditional Polish homemade spirit beverage and there are many different recepies for the production of nalewkas. However, it is not knownwhat amount of sugar can have influence of their aroma profiles. There is little information on the comparison of aroma profiles of Polish cherry nalewkas made with addition of different amount of sugar. For this purpose electronic nose based on fast GC has been used. Electronic...
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Structure and the space vector modulation for a medium-voltage power-electronic-transformer based on two seven-level cascade H-bridge inverters
PublicationThis study presents the structure and the space vector pulse-width modulation (SVPWM) for power electronic transformer (PET) based on two seven-level cascade H-bridge (CHB) inverters. The DC links of CHB inverters are coupled with nine dual-active bridge (DAB) converters with medium-frequency transformers. The DC-link voltages are equalised with two methods – through the control of DAB voltages...
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Comparison of an Electronic Nose Based on Ultrafast Gas Chromatography, Comprehensive Two-Dimensional Gas Chromatography, and Sensory Evaluation for an Analysis of Type of Whisky
PublicationWhisky is one of the most popular alcoholic beverages. There are many types of whisky, for example, Scotch, Irish, and American whisky (called bourbon). The whisky market is highly diversified, and, because of this, it is important to have a method which would enable rapid quality evaluation and authentication of the type of whisky. The aim of this work was to compare 3 methods: an electronic nose based on the technology of ultrafast...
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Rapid on-line method of wastewater parameters estimation by electronic nose for control and operating wastewater treatment plants toward Green Deal implementation
PublicationIn order to comply with legal regulations related to wastewater quality, the operational mode of facilities at wastewater treatment plant (WWTP) should be properly adjusted according to parameters of influents, however it is very difficult without frequently performed measurements. Currently there are known many techniques and devices for assesment of wastewater parameters such as chemical oxygen demand, biochemical oxygen demand,...
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Methodology for the Correction of the Spatial Orientation Angles of the Unmanned Aerial Vehicle Using Real Time GNSS, a Shoreline Image and an Electronic Navigational Chart
PublicationUndoubtedly, Low-Altitude Unmanned Aerial Vehicles (UAVs) are becoming more common in marine applications. Equipped with a Global Navigation Satellite System (GNSS) Real-Time Kinematic (RTK) receiver for highly accurate positioning, they perform camera and Light Detection and Ranging (LiDAR) measurements. Unfortunately, these measurements may still be subject to large errors-mainly due to the inaccuracy of measurement of the optical...
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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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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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Extra-curricular project-oriented education in optoelectronics in the Faculty of Electronics, Telecommunications and Informatics at Gdańsk University of Technology, Poland
PublicationProject-oriented education constitutes a key part of the curriculum in the Faculty of Electronics, Telecommunications and Informatics of Gdańsk University of Technology (Gdańsk Tech), Poland. Students on the Engineer and Master of Science level studies take part in several projects, both individually and in teams. In addition to compulsory activities, students have the opportunity to take part in the activities of student scientific...
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Generalized Einstein relation in disordered organic semiconductors: Influence of the acoustic phonons–charge carriers scattering
PublicationIn this work, we analyze the generalized Einstein relation for disordered organic semiconductors with a non-equilibrium Druyvesteyn-type distribution function. The Druyvesteyn behavior of hot electrons in a solid state is associated with the acoustic phonons–charge carriers scattering. Such a case has been experimentally demonstrated in electroluminescent inorganic rare–earth–doped zinc chalcogenides. Therefore, we can assume that,...
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Elastic-contractile model proteins: Physical chemistry, protein function and drug design and delivery
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7-Score Function for Assessing the Strength of Association Rules Applied for Construction Risk Quantifying
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Piecewise continuous distribution function method: Fluid equations and wave disturbances at stratified gas
PublicationUkład równań typu hydrodynamicznego dla warstwowych gazów w polu grawitacyjnym pochodzi od równania BGK metodą częściowej ciągłej funkcji dystrybucji. Otrzymany system równań uogólnia układ Naviera-Stokesa w dowolnych liczbach Knudsena. Rozwiązania WBK dla ultradźwięku wprowadza się w przypadku stratyfikacji exponecjalnej.
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Usage of Two-Center Basis Function Neural Classifiers in Compact Smart Resistive Sensors
PublicationA new solution of the smart resistance sensorwith the Two-Center Basis Function (TCBF) neuralclassifier, for which the resistance sensor is a component ofan anti-aliasing filter of an ADC is proposed. Thetemperature measurement procedure is based on excitationof the filter by square impulses, sampling time response ofthe filter and processing measured voltage values by theTCBF classifier. All steps of the measurement procedure...
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Implementation of FDTD-compatible Green's function on heterogeneous CPU-GPU parallel processing system
PublicationThis paper presents an implementation of the FDTD-compatible Green's function on a heterogeneous parallel processing system. The developed implementation simultaneously utilizes computational power of the central processing unit (CPU) and the graphics processing unit (GPU) to the computational tasks best suited to each architecture. Recently, closed-form expression for this discrete Green's function (DGF) was derived, which facilitates...
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Characteristics of olfactory function in a healthy geriatric population. Differences between physiological aging and pathology
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Heritability and other determinants of left ventricular diastolic function in the family-based population study
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Single Mathematical Parameter for Evaluation of the Microorganisms’ Growth as the Objective Function in the Optimization by the DOE Techniques
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Revelations About Carotid Body Function Through its Pathological Role in Resistant Hypertension
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Arterial structure and function in subjects with acute coronary syndrome after one-year of treatment
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Transport properties of microemulsions with ionic liquid apolar domains as a function of ionic liquid content
PublicationThe specific conductivity, dynamic viscosity and apparent diffusion coefficient of each of four aqueous ionic liquid microemulsions (IL-MEs) were measured as a function of ionic liquid (IL) content. The investigated systems were composed of water, hydrophobic ILs (1-butyl-3-methylimidazolium hexafluorophosphate or bis(trifluoromethanesulphonyl)imide) and the nonionic surfactant Triton X-100 or its mixture with cosurfactant (butanol)....
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Gas Detection Using Resistive Gas Sensors And Radial Basis Function Neural Networks
PublicationWe present a use of Radial Basis Function (RBF) neural networks and Fluctuation Enhanced Sensing (FES) method in gas detection system utilizing a prototype resistive WO3 gas sensing layer with gold nanoparticles. We investigated accuracy of gas detection for three different preprocessing methods: no preprocessing, Principal Component Analysis (PCA) and wavelet transformation. Low frequency noise voltage observed in resistive gas...