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Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory.
PublikacjaTime dependent density functional theory calculations are applied on a series of molecular photocatalysts of the type [(tbbpy)2M1(tpphz)M2X2]2+ (M1 = Ru, Os; M2 = Pd, Pt; X = Cl, I) in order to provide information concerning the photochemistry occurring upon excitation of the compounds in the visible region. To this aim, the energies, oscillator strengths and orbital characters of the singlet and triplet excited states are investigated....
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublikacjaThis work presents multi‐state multi‐reference Møller–Plesset second‐order perturbation theory as a variant of multi‐reference perturbation theory to treat electron correlation in molecules. An effective Hamiltonian is constructed from the first‐order wave operator to treat several strongly interacting electronic states simultaneously. The wave operator is obtained by solving the generalized Bloch equation within the first‐order...
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Parametric and Non Parametric Methods for Efficiency Assessment of State Higher Vocational Schools in 2009-2011
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A Case Study on the Desired Selectivity in Solid‐State Mechano‐ and Slow‐Chemistry, Melt, and Solution Methodologies
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Transmission vs. Diffuse Transmission in Circular Dichroism: What to Choose for Probing Solid-State Samples?
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Molecular dynamics simulation of human neurohypophyseal hormone receptors complexed with oxytocin—modeling of an activated state
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Steady-state characteristics and dynamic response of the PEM fuel cell to unit step change of load
PublikacjaPodano opis układu zasilania opartego na dwóch ogniwach paliwowych typu PEM o łącznej mocy 2.4 kW. Zaprezentowano wybrane charakterystyki statyczne i dynamiczne układu.
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Generalized solution of mixed problems for first order partial differential equations with state dependent delays
PublikacjaW pracy zostało udowodnione twierdzenie o istnieniu i jednoznaczności rozwiązań dla zagadnień początkowo-brzegowych z cząstkowym równaniem różniczkowo-funkcyjnym z opóźnionym argumentem zależnym od funkcji niewiadomej. Użyto metody bicharakterystyk. Jednoznaczność rozwiązań wykazano metodą porównawczą, istnienie - metodą ciągów przybliżeń.
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Teaching management skills to software develop- ment teams through the lean start-up methodology
PublikacjaIn order for development teams to understand the impact of software development on value delivery it is important that all team members, including software engineers, possess adequate management skills which not always have been acquired during university education. The lean start-up methodology techniques enable new ventures to test hypothesis, gather customer feed- back and create a minimum viable product. The obtained information...
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The state-of-the-art determination of urinary nucleosides using chromatographic techniques “hyphenated” with advanced bioinformatic methods
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Influence of charge transfer state on Eu 3+ luminescence in LaAlO 3 , by high pressure spectroscopy
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Perception and determinants of agricultural technology adoption in North Shoa Zone, Amhara Regional State, Ethiopia
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Agro‐industrial wastes for production of paclitaxel by irradiated Aspergillus fumigatus under solid‐state fermentation
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Device characteristics extraction by low frequency noise measurements; Someresults on the state-of-the-art MOSFET´s
PublikacjaPrzedstawiono wyniki pomiarów i analizy szumów tranzystorów MOSFET z izolatorem bramki wykonanym z SiO2 i HfO2. Wyniki pomiarów wykorzystano do oszacowania gęstości aktywnych stanów na powierzchni użytego tlenku i porównano z wynikami otrzymanymi metodą charge-pumping.
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Caratheodory solutions to quasi-linear hyperbolic systems of partial differential equations with state dependent delays
PublikacjaW pracy udowodniono twierdzenie o istnieniu i jednoznaczności rozwiązań oraz o ich ciągłej zależności od warunków początkowych dla układów równań różniczkowych cząstkowych z opóźnionym argumentem, zależnym od funkcji niewiadomej. Posłużono się metodą bicharakterystyk a istnienia dowiedziono stosując twierdzenie Banacha o punkcie stałym.
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A Model of Thermal Energy Storage According to the Convention of Bond Graphs (BG) and State Equations (SE)
PublikacjaThe main advantage of the use of the Bond Graphs method and State Equations for modeling energy systems with a complex structure (marine power plants, hybrid vehicles, etc.) is the ability to model the system components of different physical nature using identical theoretical basis. The paper presents a method of modeling thermal energy storage, which is in line with basic BG theory. Critical comments have been put forward concerning...
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Anomaly Detection in Railway Sensor Data Environments: State-of-the-Art Methods and Empirical Performance Evaluation
PublikacjaTo date, significant progress has been made in the field of railway anomaly detection using technologies such as real-time data analytics, the Internet of Things, and machine learning. As technology continues to evolve, the ability to detect and respond to anomalies in railway systems is once again in the spotlight. However, railway anomaly detection faces challenges related to the vast infrastructure, dynamic conditions, aging...
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Second-order Stark effect and polarizability of a relativistic two-dimensional hydrogenlike atom in the ground state
PublikacjaThe second-order Stark effect for a planar Dirac one-electron atom in the ground state is analyzed within the framework of the Rayleigh-Schrödinger perturbation theory, with the use of the Sturmian series expansion of the generalized Dirac-Coulomb Green's function. A closed-form analytical expression for the static dipole polarizability of that system is found. The formula involves the generalized hypergeometric function ${}_{3}F_{2}$...
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Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies
PublikacjaA series of new linear trisubstituted N1-acylamidrazones have been investigated using a variety of analytical techniques and theoretical calculations to check the influence of the type of N1-acyl substituent on the resonance forms and conformational behavior in the solid state and in solution. The 1D- and 2D-NMR experiments, supported by computational studies, revealed that in solution all amidrazones exhibit conformational syn/anti...
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Deep eutectic solvents microbial toxicity: Current state of art and critical evaluation of testing methods
PublikacjaDeep eutectic solvents (DESs) were described at the beginning of 21st century and they consist of a mixture of two or more solid components, which gives rise to a lower melting point compared to the starting materials. Over the years, DESs have proved to be a promising alternative to traditional organic solvents and ionic liquids (ILs) due to their low volatility, low inflammability, easy preparation, and usually low cost of compounds...
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Analytical ‘Steady-State’-Based Derivation and Clarification of the Courant-Friedrichs-Lewy Condition for Pipe Flow
PublikacjaThis article addresses the problem of choosing the optimal discretization grid for emulating fluid flow through a pipeline. The aggregated basic flow model is linearized near the operating point obtained from the steady state analytic solution of the differential equations under consideration. Based on this model, the relationship between the Courant number (μ) and the stability margin is examined. The numerically set coefficient...
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Gotyckie i gotycko-renesansowe płyty nagrobne kanoników kapituły warmińskiej w katedrze we Fromborku
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Positron collisions with molecular hydrogen: cross sections and annihilation parameters calculated using theR-matrix with pseudo-states method
PublikacjaThe molecular R-matrix with pseudo-states (MRMPS) method is employed to study positron collisions with H2. The calculations employ pseudo-continuum orbital sets containing up to h (l = 5) functions. Use of these high l functions is found to give converged eigenphase sums. Below the positronium formation threshold, the calculated cross sections agree with other high-accuracy theories and generally with the measurements. Calculation...
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Warunki startu i prowadzenia działalności gospodarczej przez polskich przedsiębiorców w Polsce oraz innych krajach UE
PublikacjaCzęść pierwsza monografii omawia zagadnienia dotyczące uwarunkowań działalności gospodarczej w Polsce oraz innych krajach UE. Zaprezentowano w niej także oceny przedsiębiorców na temat barier ich rozwoju w kraju oraz ich stosunek do ewentualnej ich emigracji do innych państw UE.
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On Raman optical activity sign-switching between the ground and excited states leading to an unusual resonance ROA induced chirality
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ICT technologies and financial innovations: The case of exchange traded funds in Brazil, Japan, Mexico, South Korea and the United States
Publikacja.
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Optimising approach to designing kernel PCA model for diagnosis purposes with and without a priori known data reflecting faulty states
PublikacjaFault detection plays an important role in advanced control of complex dynamic systems since precise information about system condition enables efficient control. Data driven methods of fault detection give the chance to monitor the plant state purely based on gathered measurements. However, they especially nonlinear, still suffer from a lack of efficient and effective learning methods. In this paper we propose the two stages learning...
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Optimized Space-Vector Modulation Schemes for Five-Phase Precision Low-Speed Drives with Minimizing the Stator Current Ripple
PublikacjaOne of the main ways to improve the quality of a precision electric drive is minimization of the stator current pulsations generated by the voltage inverter. The solution of this problem can be achieved by using of multiphase inverters, as well as improving control algorithms. This paper considers the influence of the space-vector modulation algorithm with different switching sequences of basic vectors on the stator current pulsations...
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Low energy inelastic electron scattering from carbon monoxide: I. excitation of the a3Π, a’3Σ+ and AΠ1 electronic states.
PublikacjaDifferential scattering cross sections for electron excitation of the three lowest excited electron states of carbon monoxide are obtained experimentally using low-energy electron energy-loss spectroscopy and theoretically using the R-matrix method. The incident electron energies range from near-threshold of 6.3 eV to 20 eV. Experimental scattering angles range from 20◦ to 120◦. The normalization of the experimental cross sections...
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Cascading transitions toward unconventional charge density wave states in the quasi-two-dimensional monophosphate tungsten bronze P4W16O56
PublikacjaSingle crystals of the m = 8 member of the low-dimensional monophosphate tungsten bronzes (PO2)4(WO3)2m family were grown by chemical vapour transport technique and the high crystalline quality obtained allowed a reinvestigation of the physical and structural properties. Resistivity measurements revealed three anomalies at TC1 = 258 K, TC2 = 245 K and TC3 = 140 K, never observed until now. Parallel X-ray diffraction investigations...
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Clinical Course and Severity of COVID-19 in 940 Infants with and without Comorbidities Hospitalized in 2020 and 2021: The Results of the National Multicenter Database SARSTer-PED
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Study of ultraviolet-visible fluorescence emission following resonant Auger decay of the 2p-1nl core-excited states of argon atoms
PublikacjaWe have studied the excitation and relaxation of Ar+ ions populated in resonant Auger decay from the Ar 2p−1nl core-excited states by using ultraviolet-visible fluorescence spectroscopy and photon-photon delayed coincidence technique. Fluorescence emission yields were measured in the photon energy range of 240-–255 eV for the 3s23p4(1D)5s(2D) → 3s23p4(1D)4p(2F) (393 nm) and 3s23p4(1D)4d(2F) → 3s23p4(1D)4p(2F) (335 nm) transitions...
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Analysis and assessment of the acoustic emission suitability for determination of the energy states of a tribological system in the form of a four-ball tester friction node
PublikacjaThe present operating safety and cost reduction requirements of the compression ignition engines make it necessary to search for new methods of detecting their defects, e.g. by the analysis of acoustic emission signals coming from the slide bearings. The paper presents non-destructive measurements of acoustic emission (AE) in order to obtain information on the processes taking place in a tribological system under the continuously...
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Mo93m isomer depletion via nuclear excitation by electron capture in resonant transfer into highly excited open-shell atomic states
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Improvement of the Treatment of Loop Structures in the UNRES Force Field by Inclusion of Coupling between Backbone- and Side-Chain-Local Conformational States
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Charge transfer and europium trapped exciton states in Eu<sup>3+</sup>/Eu<sup>2+</sup> doped phosphors
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China-Russia Bilateral Security and Military Partnership in Changing World Order: Security Challenges for the United States of America in Asia and Beyond
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Coordination states and apparent molar volumes of cobalt(II) perchlorate and cobalt(II) chloride in N,N-diethylacetamide at 25 C
PublikacjaWyznaczono pozorne objętości molowe Co(ClO4)2 i CoCl2 oraz elektronowe widma absorpcyjne w zakresie widzialnym roztworów Co(ClO4)2, CoCl2, Co(ClO4)2 - CoCl2, CoCl2 - LiCl w N,N-dietyloacetamidzie. Analiza pozornych objętości molowych, oraz wpływu temperatury i składu roztworów umozliwiła zidentyfikowanie kompleksów chlorkowych kobaltu(II) powstających w układzie Co(2+)-Cl(-)-DEA. Wyznaczono stałe trwałości.
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The influence of rotor-stator axial gap on the aerodynamic forces generatedin the shroud clearance of a turbine stage. Part I: Pressure field
PublikacjaPrzedstawiono wyniki badań doświadczalnych wpływu zmiany luzu osiowego na rozkład ciśnienia w uszczelnieniu nadbandażowym stopnia powietrznej turbiny modelowej. Wykazano, że w przypadku uszczelnienia promieniowego zmiana luzu osiowego nieznacznie zmienia rozkład ciśnienia w szczelinie nadbandażowej w porównaniu ze zmianą mimośrodowości czy skośnego ustawienia osi wirnika względem osi korpusu.
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The influence of rotor-stator axial gap on the aerodynamic forces generatedin the shroud clearance of a turbine stage. Part II: Forces and moments
PublikacjaPrzedstawiono wyniki badań doświadczalnych wpływu zmiany luzu osiowego na wymuszenia aerodynamiczne powstające w uszczelnieniu nadbandażowym stopnia powietrznej turbiny modelowej. Wykazano, że w przypadku uszczelnienia promieniowego zmiana luzu osiowego odgrywa niewielką rolę w generowaniu sił i momentów aerodynamicznych w szczelinie nadbandażowej w porównaniu ze zmianą mimośrodowości czy skośnego ustawienia osi wirnika względem...
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Noncentrosymmetric Triangular Magnet CaMnTeO6: Strong Quantum Fluctuations and Role of s0 versus s2 Electronic States in Competing Exchange Interactions
PublikacjaNoncentrosymmetric triangular magnets offer a unique platform for realizing strong quantum fluctuations. However, designing these quantum materials remains an open challenge attributable to a knowledge gap in the tunability of competing exchange interactions at the atomic level. Here, a new noncentrosymmetric triangular S = 3/2 magnet CaMnTeO6 is created based on careful chemical and physical considerations. The model material...
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Soft X-ray Induced Production of Neutral Fragments in High-Rydberg States at the O 1s Ionization Threshold of the Water Molecule
PublikacjaDissociation of water molecules after soft X-ray absorption can yield neutral fragments in high-Rydberg (HR) states. We have studied the production of such fragments by field ionization and ion time-of-flight (TOF) spectrometry. Neutral HR fragments are created at all resonances below the O 1s ionization potential (IP) and particularly within 1 eV above the O 1s IP. The latter effect is due to the recapture of the O 1s photoelectrons...
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The fixed state in impedance measurements of a two-step electrode reaction proceeding with accompanying adsorption of an intermediate product
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Entangled Histories vs. the Two-State-Vector Formalism - Towards a Better Understanding of Quantum Temporal Correlations
PublikacjaThe Two-State-Vector formalism and the Entangled Histories formalism are attempts to betterunderstand quantum correlations in time. Both formalisms share some similarities, but they are notidentical, having subtle differences in their interpretation and manipulation of quantum temporalstructures. However, the main objective of this paper is to prove that, with appropriately definedscalar products, both formalisms can be...
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Letter to the Editor: Discussion on the Paper “State-of-the-Art of Research on Seismic Pounding Between Buildings with Aligned Slabs”
PublikacjaThe paper “State-of-the-art of research on seismic pounding between buildings with aligned slabs” (by Kharazian and López-Almansa) has recently been published in the journal of Archives of Computational Methods in Engineering. It can be considered as a kind of continuation of previous ‘state-of-the-art’ publications, including two papers and a book. Unfortunately, the paper contains a number of misleading or wrong statements as...
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Qualitative and Quantitative Analysis of Selected Tonic Waters by Potentiometric Taste Sensor With All-Solid-State Electrodes
PublikacjaTaste sensor with five all-solid-state electrodes (ASSE) III (third version) was used for qualitative and quantitative analysis of selected tonic waters (J.Gasco, Kinley, Jurajski, Jurajski with citrus flavor, Carrefour, Schweppes Indian Tonic, and Schweppes Bitter Lemon). The results obtained by this taste sensor analyzed with principal component analysis, agglomerative hierarchical clustering methods show that this sensor can...
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Solid-State Dewetting as a Driving Force for Structural Transformation and Magnetization Reversal Mechniasm in FePd Thin Films
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Structure and electrical properties of ceramic proton conductors obtained with molten-salt and solid-state synthesis methods
PublikacjaPublikacja omawia wyniki badań niobanu lantanu domieszkowanego akceptorowo pod kątem właściwości elektrycznych i strukturalnych.
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Analysis of the Link between the Redox State and Enzymatic Activity of the HtrA (DegP) Protein from Escherichia coli
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Analytical studies on the environmental state of the Svalbard archipelago - critical source of information about anthropogenic global impact
PublikacjaThe Svalbard archipelago differs from other polar regions due to its specific environmental conditions and geographic location which make the area gather pollution from long-range transport. Due to the recent development in analytical techniques it is possible to determine the concentration of pollutants at the level present there. This paper collates and discusses the information from the literature about: pollutants present in...