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Search results for: QUANTUM DYNAMICS, NUMERICAL METHODS, TIME-DEPENDENT HAMILTONIAN, COUPLED SCHRÖDINGER EQUATIONS, FIELD-MOLECULE INTERACTION, PHOTOASSOCIATION, POWER-LAW DECAY, DIATOMIC MOLECULE, SPIN-ORBIT COUPLING, TRANSITION DIPOLE MOMENT
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Sum-over-state expressions including second-order Herzberg–Teller effects for the calculation of absorption and resonance Raman intensities
PublicationThe sum-over-state expressions are derived to calculate the second-order Herzberg–Teller (HT) effects in absorption and resonance Raman spectroscopies. These effects depend on the second derivatives of the transition dipole moment with respect to the vibrational coordinates. The method is applied to the molecule of 1,3-butadiene using density functional theory calculations. It is found that the second-order HT effects are significant...
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Numerical simulations of space-time conditional random fields of ground motions
PublicationArtykuł przedstawia metodę modelowania stochastycznego efektu propagacji fali sejsmicznej z wykorzystaniem przestrzenno-czasowej funkcji korelacji pola losowego trzęsienia ziemi. Metodę wykorzystano do generacji nieznanych historii czasowych trzęsienia w wybranych punktach na podstawie znanego rejestru w jednym miejscu. Wyniki pokazały, iż zastosowanie zaproponowanej metody prowadzi do relatywnie małych błędów symulacji.
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Some remarks about numerical conditioning of discrete time Riccati eqations.
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Methods for evaluating rated power of diesel-powered generator set
PublicationBasic concepts for evaluating rated power of generator sets powered by combustion engines are presented in this article. A relation between parameters of the engine and the generator are shown. Recommendations contained in the standards and technical literature are systematized. The scheme and methodology for evaluating rated power of the generator set, based on laboratory research, are suggested. Also, the main problems which...
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Dynamic Formation and Breaking of Disulfide Bonds in Molecular Dynamics Simulations with the UNRES Force Field
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Nonnegative solutions to nonlocal boundary value problems for systems of second-order differential equations dependent on the first-order derivatives
PublicationStosując tw. Avery-Petersona o punkcie stałym, podano warunki dostateczne na istnienie nieujemnych rozwiązań dla układów równań różniczkowych rzędu drugiego z argumentami opóźnionymi i wyprzedzonymi oraz warunkami brzegowymi zawierającymi całki Stieltjesa. Praca zawiera wiele przykładów.
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A hybrid, coupled reactors based 18-pulse diode rectifier with active power filter
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Method-Dependent Epidemiological Cutoff Values for Detection of Triazole Resistance in Candida and Aspergillus Species for the Sensititre YeastOne Colorimetric Broth and Etest Agar Diffusion Methods
PublicationAlthough the Sensititre Yeast-One (SYO) and Etest methods are widely utilized, interpretive criteria are not available for triazole susceptibility testing of Candida or Aspergillus species. We collected fluconazole, itraconazole, posaconazole, and voriconazole SYO and Etest MICs from 39 laboratories representing all continents for (method/agent-dependent) 11,171 Candida albicans, 215 C. dubliniensis, 4,418 C. glabrata species complex,...
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Runge-Kutta bicharacteristic methods for first order partial functional di- fferential equations
PublicationW pracy prezentujemy nową klasę metod numerycznych dla równań różniczkowo-funkcyjnych. Są to metody bicharakterystyk Rungego-Kutty. Ponadto porównuje-my wprowadzone metody z metodami klasycznymi.
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Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods
PublicationWe present the experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectra of phenol covering for the first time the full 4.3–10.8 eV energy-range, with absolute cross sections determined. Theoretical calculations on the vertical excitation energies and oscillator strengths were performed using time-dependent density functional theory and the equation-of-motion coupled cluster method restricted to single and double...
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On the theory and numerical simulation of acoustic and heat modes interaction in a liquid with bubbles: acoustic quasi-solitons
PublicationTeoria rzutowania zaburzenia ogólnego na mody. Zastosowanie metody do badań układu równań typu Korteweg`a-de Vries`a. Rozwiązania analityczne i simulacje numeryczne.
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Analiza porównawcza metod predykcji chwili zgodności fazowejw automatycznym synchronizatorze prądnic = Comparison of the methods of prediction time phase coincidence in automatic synchronizer of power generators
PublicationW artykule porównano dokładność wybranych metod realizacji warunku fazowego podczas synchronizacji obiektów elektroenergetycznych. Do porównania wybrano trzy metody: liniową, wielomianową oraz metodę adaptacyjnej synchronizacji prądnic z ekstrapolacją funkcją wymierną. Badania przeprowadzono dla różnych warunków pracy. Przyjęto stałą różnicę częstotliwości napięć synchronizowanych obiektów, różnicę częstotliwości zmieniającą się...
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Suppression of Supply Current Harmonics of 18-Pulse Diode Rectifier by Series Active Power Filter with LC Coupling
PublicationThe reported research aims at improving the quality of three-phase rectifier supply currents. An effective method consists of adding properly formed booster voltages to the fundamental supply voltages using a series active filter. In the proposed solution, the booster voltages are generated by three single-phase systems consisting of inverters, LC filters, and single-phase transformers. The application of LC couplings ensures low...
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A new approach to numerical solution of fixed-point problems and its application to delay differential equations
PublicationW pracy rozpatruje się pewne aproksymacje punktu stałego ciągłego operatora A odwzorowującego przestrzeń metryczną w siebie. Wspomniany punkt stały przybliża się tzw. epsilon przybliżonym punktem stałym z przestrzeni skończenie wymiarowej. Udowodnione zostało twierdzenie dające warunki konieczne i dostateczne istnienia punktu stałego w ogólnej przestrzeni metrycznej. Warunki te wyrażone są w terminach epsilon przybliżonego punktu...
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The use of numerical methods for the analysis of phase phenomena in multi element antennas.
PublicationW artykule zostały zaprezentowane wyniki analizy wpływu wzajemnej i własnej impedancji promieniowania na fazę sygnału odbieranego przez antenę wieloelementową. Obliczenia dokonano dla elektrycznego modelu zastępczego Mason`a przetwornika ultradźwiękowego.
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Site-selective magnetic order of neptunium inNp2Ni17
PublicationWe present the results obtained by superconducting quantum interference device (SQUID) magnetometry, specific heat, and Mossbauer spectroscopy measurements carried out on Np2Ni17 polycrystalline samples. We show that long-range magnetic order, with a moment mu((2b)) similar to 2.25 mu(B), occurs below T-N = 17.5 K on the Np (2b) sites. A nontrivial situation is observed in that the other Np sites (2d) do not take part to the order...
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Numerical Modeling of Water and Ice Dynamics for Analysis of Flow Around the Kiezmark Bridge Piers
PublicationThis paper presents the results of a numerical model study on the effect of ice on the proposed bridge piers in the Vistula River outlet and its effect on flow conditions in the river. The model DynaRICE is used in this study, which is a two-dimensional hydro-ice dynamic numerical model developed for dynamic ice transport and jamming in rivers. To simulate river hydrodynamics in the vicinity of the bridge piers, 2-dimensional numerical...
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Experimental and numerical analysis of the pyrolysis dynamics of a single wood particle: presentation of the radiographic technique
PublicationPyrolysis is an oxygen-free process for the thermal decomposition of raw materials. The heat conduction and flow of pyrolysis products (i.e., the gas fraction and liquid vapour generated during pyrolysis) influence the process and products. In this work, the influence of the orientation of wooden particle fibres with respect to the direction of the heat source on the dynamics of the process was investigated, where there were two...
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Objectivity in the non-Markovian spin-boson model
PublicationObjectivity constitutes one of the main features of the macroscopic classical world. An important aspect of the quantum-to-classical transition issue is to explain how such a property arises from the microscopic quantum theory. Recently, within the framework of open quantum systems, there has been proposed such a mechanism in terms of the so-called spectrum broadcast structures. These are multipartite quantum states of the system...
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Automatic Regularization by Quantization in Reducible Representations of CCR: Point-Form Quantum Optics with Classical Sources
PublicationElectromagnetic fields are quantized in a manifestly covariant way by means ofa class of reducible "center-of-mass N-representations" of the algebra of canonical commutationrelations (CCR). The four-potential Aa(x) transforms in these representations as aHermitian four-vector field in Minkowski four-position space (without change of gauge), butin momentum space it splits into spin-1 massless photons and two massless scalars. Whatwe...
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Vehicle Dynamics - L-15/C-15/L-15/P-15, Design and Production Engineering, WIMiO, undergraduate studies, engineering studies, full-time (stationary) studies, 2021/2022, se06, (M:320383W0), summer semester 2023/2024
e-Learning CoursesModuł przedmiotów wybieralnych, MiBM, I stopień, specjalność w j. angielskim: Design and Production Engineering (DaPE), semestr 6?, (przedmiot dla Chińczyków), Lecture: Throttle by tyred wheel: slip rolling, rolling with tyre strain, vertical and lateral surface reactions, traction, energetic looses, forces in contact path. Drugs of movement: rolling, air, gradient, inertia, cornering and towing. Forces ant torques acting to vehicle...
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Solving the Problem of Dynamic Adaptability of Artificial Intelligence Systems that Control Dynamic Technical Objects
PublicationThis paper investigates the increase in the response speed and stability of artificial intelligence systems that control dynamic technical objects. The problem of calculating the optimal time of switching an artificial intelligence system between software classes by the criterion of the rigidity degree of the model of a control object is considered. The solution of this problem is proposed for the general case of the control object...
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Improving Traffic Light Recognition Methods using Shifting Time-Windows
PublicationWe propose a novel method of improving algorithms recognizing traffic lights in video sequences. Our focus is on algorithms for applications which notify the driver of a light in sight. Many existing methods process images in the recording separately. Our method bases on the observation that real-life videos depict underlying continuous processes. We named our method FSA (Frame Sequence Analyzed). It is applicable for any underlying...
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Analysis of Induced Voltages and Power Losses in High Voltage Power Cables for Selected Methods of Cables Sheaths Bonding
PublicationPower is increasingly supplied to city centres with 110 kV cable lines. This is a convenient way to supply power, and practically the only one possible in areas of dense urban development. A high-voltage cable contains a coaxial metallic sheath, in which in normal operation and in fault conditions (during short-circuits) significant line-to-earth voltages can be induced, which threatens electric shock and/or damage to the cable’s...
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Fem and time stepping procedures in non-linear dynamics of flexible branched shell structures.
PublicationW pracy dyskutowano problemy całkowania równań ruchu, sformułowanych w ramach nieliniowej sześcioparametrowej teorii powłok. Główne myśli dotyczą zbieżności rozwiązań uzyskanych w procesie aproksymacji przestrzennej i czasowej oraz analizy stabilności rozwiązań MES.
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Electric-field-induced magnetic quadrupole moment in the ground state of the relativistic hydrogenlike atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublicationStosując rozwinięcie sturmowskie uogólnionej funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla magnetycznego momentu kwadrupolowego, indukowanego przez zewnętrzne słabe, stałe, jednorodne pole elektryczne w stanie podstawowym relatywistycznego atomujednoelektronowego.
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Numerical Simulation of Temperature Field in Steel under Action of Electron Beam Heating Source
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Numerical Estimate of the Spectral Resonance Structure Frequency Scale of Natural ULF Magnetic Field
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Application of QSAR Analysis and Different Quantum Chemical Calculation Methods in Activity Evaluation of Selected Fluoroquinolones
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Jan Franz dr hab.
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Vibrational inelastic electron-H2 scattering revisited: numerically converged coupled channels space frame calculations with model interaction
PublicationZderzeniowe wzbudzenie niższych oscylacyjnych poziomów molekuły H2 (^1Σ^+,g) przez elektrony o niskiej energii. Obliczenia wykonano przy użyciu empirycznego modelowego potencjału oraz przez rozwiązanie równania rozpraszania dwukanałowego w układzie współrzędnych, związanych z molekułą.
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The time-dependent cellular uptake of C−2028, CD−C−2028, QDgreen−C−2028, and QDgreen−CD−FA−C−2028 conjugates at IC80 value to cancer LNCaP cells
Open Research DataThe time-dependent (1, 24, 48, and 72 h) cellular uptake of C−2028, CD−C−2028, QDgreen−C−2028, and QDgreen−CD−FA−C−2028 conjugates at IC80 value to cancer LNCaP cells performed by Confocal Laser Scanning Microscopy (63× magnification; ZEISS LSM T-PMT, Magdeburg, Germany). Based on the fluorescence properties of these compounds, green and orange fluorescence...
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The time-dependent cellular uptake of C−2028, CD−C−2028, QDgreen−C−2028, and QDgreen−CD−FA−C−2028 conjugates at IC80 value to cancer H460 cells
Open Research DataThe time-dependent (1, 24, 48, and 72 h) cellular uptake of C−2028, CD−C−2028, QDgreen−C−2028, and QDgreen−CD−FA−C−2028 conjugates at IC80 value to cancer H460 cells performed by Confocal Laser Scanning Microscopy (63× magnification; ZEISS LSM T-PMT, Magdeburg, Germany). Based on the fluorescence properties of these compounds, green and orange fluorescence...
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The time-dependent cellular uptake of C−2028, CD−C−2028, QDgreen−C−2028, and QDgreen−CD−FA−C−2028 conjugates at IC80 value to normal PNT1A cells
Open Research DataThe time-dependent (1, 24, 48, and 72 h) cellular uptake of C−2028, CD−C−2028, QDgreen−C−2028, and QDgreen−CD−FA−C−2028 conjugates at IC80 value to normal PNT1A cells performed by Confocal Laser Scanning Microscopy (63× magnification; ZEISS LSM T-PMT, Magdeburg, Germany). Based on the fluorescence properties of these compounds, green and orange fluorescence...
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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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Construction of highly stable parallel two-step Runge-Kutta methods for delay differential equations
PublicationW pracy pokazano, że każda A-stabilna dwukrokowa metoda Rungego-Kutty dla równań różniczkowych zwyczajnych rzędu p1 i rzędu etapowego q=p1 może być uogólniona do P-stabilnej metody dla równań różniczkowych z opóźnieniem zbieżnej jednostajnie z rzędem p=p1.
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Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets
PublicationThe article presents adiabatic potential energy curves of the ground and excited electronic states for the diatomic NaK molecule. The calculations were made using the ab initio computational methods to include electron correlation. The studied molecule was calculated as the effective two-electron problem, in which only the valence electrons of the molecule are explicitly taken into account. The remaining electrons with atomic nuclei...
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Revisiting Toroidal Dipolar Moment in Planar Metamaterial
PublicationThis article revisits the electric, magnetic, and toroidal dipolar moments in the metamaterial structure and presents the flatland design for generating a toroidal dipolar response for the electromagnetic plane wave at normal incidence. Based on the numerical analysis of the surface current, the electric field, the magnetic field, and the quantitative analysis of scattered power supported by the electromagnetic multipole theory,...
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A new look at two polymorphic crystal structures of dibenzoylmethane: relationship between the crystal packing and the hydrogen atom position revealed by quantum chemistry and quantum crystallography methods
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Dipole-bound anions supported by charge-transfer interaction: Anionic states of HnF3?nN ? BH3 and H3N ? BHnF3?n (n = 0, 1, 2, 3)
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Application of matching pursuit based method to identify sources of time-vary magnetic field
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A field programmable analog array for CMOS continuous-time OTA-C filter applications
PublicationW artykule opisano programowalny wzmacniacz transkonduktancyjny oraz konfigurowalny blok analogowy CAB składający się ze wzmacniacza transkonduktancyjnego, kluczy oraz programowalnego kondensatora. Z bloków CAB można zbudować uniwersalne, programowalne filtry. Wzmacniacz transkondukancyjny został przesymulowany oraz wykonany w technologii CMOS. Wyniki pomiarów pokazują, że transkonduktancja wzmacniacza może być przestrajana ponad...
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The luminescence study ofNaK2Li[Li3SiO4]4:Ce coumpounds.
Open Research DataPhosphors with a rigid and symmetrical structure are urgently needed. The alkali lithosilicate family (A[Li3SiO4]) has been extensively studied with a narrow emission band due to its unique cuboid-coordinated environment and rigid structure. However, here we demonstrate for the first time Ce-doped NaK2Li[Li3SiO4]4 phosphors with a broad emission band,...
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Combining tight-binding and molecular dynamics methods to model the behaviour of metals in the plastic regime
PublicationOpisujemy zastosowanie metody dwuskalowej (kwantowo-klasycznej) w zastosowaniu do metali. Region energetycznie najważniejszy jest traktowany kwantowo, podczas gdy reszta układu jest traktowana klasycznie. Wprowadzamy własną implementację metody oraz przedstawiamy uzyskane wyniki dla metali.
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In the search for experimental and quantumchemical evidence for zwitterionic nature of (2 E )-3-[4-(dimethylamino)phenyl]-2-nitroprop-2-enenitrile – An extreme example of donor–π–acceptor push–pull molecule
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Time dependent slurry viscosity of finegrained silicon dioxide particles.Second International Conference on Engineering Rheology ICER 2003.
PublicationCząstki dwutlenku krzemu otrzymywano w wyniku reakcji chemicznej krzemianu sodowego z gazowym dwutlenkiem węgla. Krzemian sodowy był rozpuszczony w wodnym roztworze glikolu trójetylenowego. Dwutlenek węgla wprowadzano do strefy wznoszenia reaktora airlift z wewnętrzną cyrkulacją. Obserwowano położenie maksimów na krzywych zależności lepkości zawiesiny reakcyjnej od czasu.
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Gas hold up and time dependent slurry viscosity during the the precipitation of fine grained silicon dioxide particles.
PublicationBadano zmiany stopnia zatrzymania gazu i lepkości zawiesiny podczas precypitacji dwutlenku krzemu z krzemianu sodowego za pomocą dwutlenku w reaktorze airlift z wewnętrzną cyrkulacją. Badano wpływ parametrów procesowych na akumulację mikropęcherzy w zawiesinie.
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Effect of time on the metal-support (Fe-MgO) interaction in CVD synthesis of single-walled carbon nanotubes
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Monitoring of the Process of System Information Broadcasting in Time
PublicationOne of the problems of quantum physics is how a measurement turns quantum, noncopyable data, towards copyable classical knowledge. We use the quantum state discrimination in a central system model to show how its evolution leads to the broadcasting of the information, and how orthogonalization and decoherence factors allow us to monitor the distance of the state in question to the one perfectly broadcasting information, in any...
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Density Functional Theory Studies on Ir Spectra of the Triphenylene Derivatives. A Scaled Quantum Mechanical Force Field Approach
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