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Proton affinity and proton transfer energy for selected organic molecules
PublicationThe Hartree-Fock method in 6-311G** molecular orbitals basis set has been applied to calculations of proton affinities and proton transfer reaction energies for water, methanol, acetaldehyde, ethanol, acetone, acetic acid, methyl acetate and ethyl acetate.
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Proton affinities of simple organic compounds
PublicationThe Restricted Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets has been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for small neutral and protonated alkanes, alcohols, acetic acid, methyl and ethyl acetate, acetone, and acetaldehyde. Calculated values of proton affinities are compared with experimental data.
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Dissociation energies of protonated water clusters
PublicationRelative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n = 4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...
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Postharvest changes in phenolic compounds and antioxidant capacity of apples cv. Jonagold growing in different locations in Europe
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Interplay between Aryl···Perfluoroaryl and Hydrogen Bonding Interactions in Cocrystals of Pentafluorophenol with Molecules of Trigonal Symmetry
PublicationCocrystals of seven star-shaped triaryl compounds with pentafluorophenol (pfp) were prepared and structurally characterized by the single-crystal X-ray diffraction method. Cocrystallization of pfp with planar (or almost planar) compounds gave six 3:1 molecular complexes with well-defined layered structures. The layers are composed of alternating pfp3 trimers, linked by hydrogen bonding, and triaryl molecules held together in planes...
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Earthquake–induced pounding on response of adjacent structures in series: experimental and numerical study
PublicationPounding between structures in series during earthquakes may cause serious damage in the structur-al elements. The aim of this paper is to show the results of an experimental and numerical study that is focused on pounding between more than two structures which may be called "structures in series". In this study, the shaking table experiments, as well as the numerical analyses, were performed using three tower models including...
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Novel adaptive flux observer for wide speed range sensorless control of induction motor
PublicationA new adaptive flux observer of induction motor is presented in the paper. The Lyapunov theory is utilized for derivation of the adaptation law of rotor flux angular speed, which acts as unknown parameter in an augmented induction motor model. In the field weakening region, where stray fluxes are comparable with rotor flux magnitude, the air-gap flux stabilization is proposed. An air-gap flux multiscalar model is derived for stator...
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Role of nitrogen in optical and electrical band gaps of hydrogenated/hydrogen free carbon nitride film
PublicationWe report the optical and electrical band gap energy of amorphous hydrogenated carbon nitride (a-HCNx) and carbon nitride (a-CNx) as a function of nitrogen concentration (N/C). The optical band gap of a-HCNx and a-CNx films has been determined by means of Ellipsometry and UV-VIS. Both optical and electrical band gaps increase with elevated nitrogen concentration. Experimentally obtained electrical band gap is compared with the...
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Preparation, characterization and anti-colitis activity of curcumin-asafoetida complex encapsulated in turmeric nanofiber
PublicationUlcerative colitis (UC) is a main form of inflammatory bowel disease (IBD). Asafoetida (ASF) and turmeric have traditionally been used for the treatment of various inflammatory diseases, including UC, because ASF is rich in sulfur compounds and turmeric contains curcumin (CUR). Turmeric nanofiber (TNF), the modified cell wall component of turmeric is considered to play important role in the human diet, health and can be used as...
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Long-range, water-mediated interaction between a moderately active antifreeze protein molecule and the surface of ice
PublicationUsing molecular dynamics simulations, we show that a molecule of moderately active antifreeze protein (type III AFP, QAE HPLC-12 isoform) is able to interact with ice in an indirect manner. This interaction occurs between the ice binding site (IBS) of the AFP III molecule and the surface of ice, and it is mediated by liquid water which separates these surfaces. As a result, the AFP III molecule positions itself at a specific orientation...
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EFEKTYWNOŚĆ STOSOWANIA ZDERZAKÓW STYROPIANOWYCH POMIĘDZY ZDERZAJĄCYMI SIĘ KONSTRUKCJAMI STALOWYMI
PublicationPodczas wstrząsów sejsmicznych o różnym natężeniu, wielokrotnie obserwowano zjawisko zde-rzania się konstrukcji ze sobą sąsiadujących, co mogło prowadzić nawet do jej całkowitego zniszczenia. Na podstawie obserwacji, badań numeryczny i eksperymentalnych stwierdzono, że przyczyną kolizji jest niedostateczna przerwa pomiędzy konstrukcjami. Ponadto czynnikami, które również mogą doprowadzić do zderzeń są różnice w masach lub sztywnościach...
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Experimental and Numerical Study on Pounding of Structures in Series
PublicationPounding between structures in series during earthquakes may cause serious damage in the structural elements. The aim of this paper is to show the results of an experimental and numerical study that is focused on pounding between more than two structures which may be described as “structures in series”. In this study, the shaking table experiments, as well as the numerical analyses, were performed using three tower models including...
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Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences
PublicationCooperation of aryl⋯perfluoroaryl stacking interactions and hydrogen bonds was utilized in the construction of six novel cocrystals of aromatic cis-amides with pentafluorobenzoic acid (pfba) and pentafluorophenol (pfp). They were obtained by crystallization from solution and structurally characterized. In four instances, the components form heterotetrameric motifs, in which amide:amide homodimer interacts symmetrically on two sides...
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The convergence of gender wage differences - myth or fact - multi country multi sector analysis
PublicationThe Becker’s theory of discrimination predicts that in the long run the gender wage differences should disappear. In our empirical analysis we verify the testable implications of this mode considering the hypothesis of gender wage gap convergence. The study takes into account 31 sectors in 13 European countries for the period between 1970 and 2005. We distinguish between wages paid to different groups of workers classified according...
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Interfacial water controls the process of adsorption of hyperactive antifreeze proteins onto the ice surface
PublicationA mechanism of interactions between the ice-binding surface of a hyperactive antifreeze protein molecule and the ice surface is proposed, involving the influence of water present between the two surfaces on the behavior of the approaching molecule. It is demonstrated that the interfacial water, even before its full solidification, can act as a factor that pushes away or pulls nearer the protein molecule to ensure its proper positioning....
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Analytical Expression for the Time-Domain Discrete Green's Function of a Plane Wave Propagating in the 2-D FDTD Grid
PublicationIn this letter, a new closed-form expression for the time-domain discrete Green's function (DGF) of a plane wave propagating in the 2-D finite-difference time-domain (FDTD) grid is derived. For the sake of its verification, the time-domain implementation of the analytic field propagator (AFP) technique was developed for the plane wave injection in 2-D total-field/scattered-field (TFSF) FDTD simulations. Such an implementation of...
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Experimental Study on Pounding between Structures during Damaging Earthquakes
PublicationMutual pounding between structures during earthquakes may cause serious structural damage. The aim of this paper is to show the results of a shaking table experimental study focused on pounding between structures in series under several earthquake excitations. The experiments were performed using three tower models with different configurations and different gap distances between them. In the first stage of the study, one rigid...
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Influence of Gaps’ Geometry Change on Leakage Flow in Axial Piston Pumps
PublicationAxial piston pumps are the core elements of most medium and high-pressure hydraulic systems. High volumetric efficiency and high working pressures are the main advantages of this type of pumps. Therefore it is necessary to accurately calculate the leakage flow through the gaps to design efficient high-pressure pump. The main difficulty of such calculations is the fact, that the gaps change their geometry during pumping process....
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Morphology, Mechanical and Thermal Properties of Thermoplastic Polyurethane Containing Reduced Graphene Oxide and Graphene Nanoplatelets
PublicationPolyurethane/graphene nanocomposites were synthesized using commercial thermoplastic polyurethane (TPU, Apilon 52DE55), and two types of graphene derivatives: graphene nanoplatelets (GNP) and reduced graphene oxide (RGO). Fourier Transformation Infrared Spectroscopy Fourier Transformation Infrared Spectroscopy (FTIR) spectroscopy, TEM, and SEM microscopy and XRD techniques were used to chemically and structurally characterize GNP...
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Modeling lubricant flow between thrust-bearing pads
PublicationInlet temperature is one of the main inputs in all models for the analysis of fluid film bearing performance. At the same time, inlettemperature distribution and also oil velocity distribution at the inlet are the result of flow phenomena in the gap between the bearingpads. These phenomena are complex and in many cases further affected by any special arrangements of forced oil supply to the gapbetween pads. The reason for such...
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Improving Savonius rotor performance by shaping its blade edges
PublicationThe article presents the results of the numerical analysis of the flow inside the Savonius rotor. Particular at-tention has been paid to the vicinity of the blade gap in order to recognise the mechanisms controlling the flow in this area. The conclusions resulting from the analysis made the basis for an attempt to improve Savonius turbine performance via shaping rotor blade edges. The paper presents selected characteristic flow...
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A DFT+U study of carbon nanotubes under influence of a gate voltage
PublicationA possibility of appearance of antiferromagnetic ordering in armchair carbon nanotubes and graphene is studied using density functional theory within a DFT+U approach. It is shown that the Coulomb repulsion between electrons in the -orbitals of graphene would need to reach a threshold value of ,...
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Wzrost gospodarczy a zapotrzebowanie na prace - teoria i rzeczywistość gospodarcza Polski w latach 1995-2014
PublicationW części teoretycznej artykułu w pierwszej kolejności przedstawiono makroekonomiczne podstawy zapotrzebowania na pracę w warunkach postępu technicznego oraz zmian kapitału rzeczowego. W następnej kolejności sformułowano założenia dla modelu opisującego zależności pomiędzy stopami wzrostu produktu krajowego i zatrudnienia. W części empirycznej artykułu rozważano wybrane wersje oszacowanego modelu opisujące gospodarkę Polski. Do...
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Krótko- i długookresowe skorygowane krańcowe skłonności do konsumpcji. Gospodarka Polski w latach 1995-2018
PublicationWe wstępnej części artykułu - odwołując się do teorii Keynesa - omówiono i zdefiniowano podstawowe relacje makroekonomiczne pomiędzy konsumpcją globalną a produktem krajowym brutto. W następnej kolejności przeprowadzono analizę informacji statystycznych dotyczących prywatnych wydatków konsumpcyjnych gospodarstw domowych (C) oraz globalnych wydatków konsumpcyjnych społeczeństwa (CO) na tle produktu krajowego brutto (PKB) w Polsce...
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Global value chains and productivity gains: a cross-country analysis
PublicationThe main aim of this article is to assess the implications of involvement in global value chains (GVC) on sectoral productivity growth from the international perspective. Our panel data analysis covers 40 countries, 20 industries (13 manufacturing and 7 services sectors) in the period 1995–2011. Estimation results suggest that there is a positive link between TFP growth and the involvement of sectors in global value chains (measured...
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Impact response of two-layered grouted aggregate fibrous concretecomposite under falling mass impact
PublicationTwo-layered Grouted Aggregates Fibrous Concrete Composite (TGAFCC) is a new category concrete which became popular recently and attracted the attention of researchers globally. Recent studies indicated that TGAFCC has notable improvement in mechanical properties, which has been sufficiently documented. However, the impact behaviour of TGAFCC when combined with Glass Fibre Mesh (GFM) and Textile Fibre Mesh (TFM) is still unexplored....
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Photovoltaic bulk heterojunctions with interpenetrating network based on semiconducting polymers
PublicationPhotovoltaic cells are supposed to be the most common generators of useful electricity in the nearest future as they utilize inexhaustible carriers of renewable energy called photons. Despite the fact that 95% of worldwide applied photovoltaic devices are based on inorganic semiconductors the area of organic photovoltaics grows successively due to possibility of considerable reduction of manufacturing costs. Since the Heeger's...
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Recent advances in gaseous imaging photomultipliers
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Koncepcja międzynarodowej konkurencyjności makrootoczenia przedsiębiorstw
PublicationCelem badań przedstawionych w niniejszym artykule jest opracowanie koncepcji konkurencyjności międzynarodowej (IC) krajów, której podstawą jest makroekonomiczne otoczenie przedsiębiorstw. Motywem podjęcia tych badań były poważne wady metodologii pomiaru IC gospodarek stosowanej przez Światowe Forum Ekonomiczne (WEF). WEF rekomenduje Globalny Indeks Konkurencyjności (GCI) jako globalną miarę produktywności kraju. WEF utrzymuje,...
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Do global brands contribute to the economy of their country of origin? A dynamic spatial approach
PublicationPurpose - Brand positioning based on the brand’s country of origin is at the centre of attention in international marketing. It is evident that global brands constitute critical intangible assets for businesses and places. However, it is not clear how they contribute to national economies. This paper aims to discuss the significance of brands as contributing to the value of their companies but also helping to leverage national...
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Maturity Mismatch in the Polish Banking System and its Impact on the Economy
PublicationIn the article maturity mismatch in the Polish banking system is estimated based on the publicly available data. Then the impact on the economy is discussed. Based on Polish central bank’s data it may be estimated that between 1996 and 2012 the maturity gap increased significantly – average residual maturity of assets exceeds 6 years in 2012 (less than 2 years in 1996), while that of liabilities remains below 1 year. The gap...
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Fertility rebound and economic growth. New evidence for 18 countries over the period 1970-2011.
PublicationLong-run impact of economic growth on fertility trends is ambiguous and sensitive for in-time variations. Noticeably, over last decades, economic growth has led in many countries to significant falls in total fertility rates. However, recently, in high-income economies a kind of ‘fertility rebound’ emerged (Goldstein, 2009; Luci and Thevenon, 2011; Day, 2012), which supports the hypothesis that reversal trends in total fertility...
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Family business experience and the probability of starting a venture: gender differences in Poland
PublicationThe aim of this study is to analyse whether the experience of working in a family member’s business is related differently to the assessed probabilities of men and women starting their own new venture in the future. The research is conducted on a sample of 334 Polish undergraduate students. Poland is an efficiency-driven European economy with a substantial gender gap in entrepreneurship. The results obtained indicate that the relationship...
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Efficiency of service recovery in scale-free optical networks under multiple node failures
PublicationIn this paper we examine the properties of scale-free networks in case of simultaneous failures of two networknodes. Survivability assumptions are as follows: end-to-end path protection with two node-disjoint backup pathsfor each working path. We investigate three models of scale-free networks generation: IG, PFP and BA.Simulations were to measure the lengths of active and backup paths and the values of service recovery time.We...
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Effect of Variation of Hard Segment Content and Graphene-Based Nanofiller Concentration on Morphological, Thermal, and Mechanical Properties of Polyurethane Nanocomposites
PublicationThis study describes the development of a new class of high-performance polyurethane elastomer nanocomposites containing reduced graphene oxide (RGO) or graphene nanoplatelets (GNP). Two types of polyurethane elastomers with different contents of hard segments (HS) were used as a polymer matrix. The developed nanocomposites were characterized by thermal analysis (DSC, TG), dynamic mechanical testing (DMA), hardness testing, mechanical...
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Ellipsometric study of carbon nitride films deposited by DC-magnetron sputtering
PublicationWe report the optical properties of a carbon nitride (CNx) film as a function of nitrogen concentration (N/C) of the deposited film. As nitrogen concentration is increased (N/C ratio) in a CNx film, the refractive index and band gap also increase. The real and imaginary parts, n and k (refractive index and extinction coefficient) of the complex refraction index of carbon nitride films were determined by spectroscopic ellipsometry...
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Kompozytowy most dla pieszych. Badania doświadczalne i przygotowanie do projektowania
PublicationDysertacja powstała w ramach grantu badawczego NCBiR, pt. „Opracowanie kompozytowych przęseł mostów dla pieszych do zastosowania nad drogami GP”, nr PBS1/B2/6/2013. Głównym celem pracy było wsparcie procesu projektowania kompozytowego mostu pieszo-rowerowego. Zakres pracy obejmuje badania doświadczalne elementów kompozytowych GFRP, walidację modeli obliczeniowych oraz wykorzystanie aparatu analizy wrażliwości do procesu projektowego....
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The forecasts-based instrument rule and decision making. How closely interlinked? The case of Sweden
PublicationResearch background: The Central Bank of Sweden declared in years 1999–2006 the implementation of the Svensson’s concept of inflation forecast targeting (IFT). It means that the repo rate decision-making process depends on the inflation forecasts. The concept evolved from the strict IFT with the decision-making algorithm called ‘the rule of thumb’ to the flexible IFT. Purpose of the article: The aim of...
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Progress in GEM-based gaseous photomultipliers
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Side Effects of National Immunization Program: E-Governance Support Toward Elders' Digital Inclusion
PublicationIn response to the coronavirus pandemic, the European Union (EU) governments develop policies to regulate exclusive health protection actions that consider societal needs with the emphasis on elders. Given that the EU vaccination strategy uses a centralized ICT-based approach, there is little guidance on how seniors are included in national immunization programs (NIP). In this paper, we addressed a knowledge gap of the side effects...
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The Effectiveness of Rubber Bumpers in Reducing the Effects of Earthquake-Induced Pounding between Base-Isolated Buildings
PublicationTh e methods for preventing earthquake-induced structural pounding between two adjacent buildings include ensuring a sufficient separation distance between them or decreasing their relative displacement during seismic excitation. Some equations or even specific values of such gap sizes between two buildings have been introduced so as to avoid collisions. Increasing the stiffness of buildings, using tuned mass dampers, applying...
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Activity of Patents in Fuel Cells and Hydrogen Production in the Context of Passenger Car Fleet in the V4 Countries
PublicationThe hydrogen market in the world today is capable ovule and em-pirical evidence on activity of patents in fuel cells and hydrogen production islimited so far. Patent applications in zero-emission mobility in the aspect of fuelcells include: DAFC/DMFC&DMFC, PEMFC, SOFC, AFC, PAFC. As for thepatents relating to the hydrogen production, they concern low carbon, electrol-ysis and inorganic. The purpose of the study was to investigate...
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Repeated Projectile Impact Tests on Multi-Layered FibrousCementitious Composites
PublicationThis research aims to experimentally evaluate the behaviour of multi-layered fibrous cementitious composites withintermediate Glass Fibre Meshes (GFM) under repeated projectile load. The impact load was subjected through a convexedge projectile needle at a low velocity on cylindrical specimens of three-layered fibrous cementitious composites, whichhave two different steel fibre distributions. In series A mixtures, a constant steel...
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Seismic pounding between adjacent buildings: Identification of parameters, soil interaction issues and mitigation measures
PublicationStructural pounding has been observed in many previous earthquakes due to insufficient gap commonly provided between adjacent structures. The collisions usually generate large impact forces and short duration acceleration pulses which may result in significant damage to the colliding buildings. Because of that, earthquake induced structural pounding has been intensively studied and investigated for the last three decades. Results...
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Electrochemical and photoelectrochemical characterization of photoanodes based on titania nanotubes modified by a BiVO4 thin film and gold nanoparticles
PublicationTitania nanotubes (TNT) modified with thin films of bismuth vanadate (BiVO4) and gold nanoparticles (GNP) were photoelectrochemically characterized as photoanodes for water photooxidation. Presence of bismuth vanadate enhanced efficiency of photocurrent generation in comparison with pristine TNTs under visible light illumination. Besides an extended range of absorbed light, the presence of both BiVO4 and GNP reduced the charge...
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Efficiency limit of excitonic photovoltaic cells under phosphor-based white LED illumination
PublicationThe limit of energy conversion of excitonic photovoltaic cells working under white light illumination generated by phosphor-based LED is analysed using the modified Giebink approach. Particularly, the impact of the optical energy gap and energy loss associated with the excitons dissociation at the heterojunction interface on power conversion efficiency of the device are discussed. From the results of our study it follows that the...
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Experimental verification and comparison of mode shape-based damage detection methods
PublicationThis paper presents experimental verification and comparison of damage detection methods based on changes in mode shapes such as: mode shape curvature (MSC), modal assurance criterion (MAC), strain energy (SE), modified Laplacian operator (MLO), generalized fractal dimension (GFD) and Wavelet Transform (WT).
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Shaking table experimental study on pounding between adjacent structures founded on different soil types
PublicationThe aim of this study is to extensively investigate the effect of the soil type on the response of colliding structures based on shaking table experimental tests. Two single-storey models of steel buildings with different dynamic parameters were considered in this study. Three pounding scenarios were taken into account by applying different seismic gaps (0.5 cm, 1 cm and 1.5 cm as well as the no pounding case). First, the effect...
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Understanding the Electronic Structure and Optical Properties of Vacancy-Ordered Double Perovskite A2BX6 for Optoelectronic Applications
PublicationOver the past few years, metal halide perovskite solar cells have made significant advances. Currently, the single-junction perovskite solar cells reach a conversion efficiency of 25.7%. Perovskite solar cells with a wide band gap can also be used as top absorber layers in multi-junction tandem solar cells. We examined the dynamical and thermal stability, electronic structure, and optical features of In2PtX 6 (X = Cl, Br, and I)...
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Unusual dynamic properties of water near the ice-binding plane of hyperactive antifreeze protein
PublicationThe dynamical properties of solvation water of hyperactive antifreeze protein from Choristoneura fumiferana (CfAFP) are analyzed and discussed in context of its antifreeze activity. The protein comprises of three well-defined planes and one of them binds to the surface of ice. The dynamical properties of solvation water around each of these planes were analyzed separately; the results are compared with the dynamical properties...