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wszystkich: 1964
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Katalog
- Publikacje 1712 wyników po odfiltrowaniu
- Czasopisma 33 wyników po odfiltrowaniu
- Konferencje 4 wyników po odfiltrowaniu
- Osoby 18 wyników po odfiltrowaniu
- Projekty 2 wyników po odfiltrowaniu
- Kursy Online 22 wyników po odfiltrowaniu
- Wydarzenia 2 wyników po odfiltrowaniu
- Dane Badawcze 171 wyników po odfiltrowaniu
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: QUANTUM SCATTERING CALCULATIONS
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A Measurement System for Quasi-Spectral Determination of Absorption and Scattering Parameters of Veterinary Tissue Phantoms
PublikacjaThis paper describes the construction of a system for the quasi-spectral determination of absorption and scattering parameters of animal tissue phantoms. Several tissue phantoms, including one reference and two modified for examination, were prepared from polydimethylsiloxane (PDMS). The phantoms were measured using a system based on an integrating sphere and the light sources of wavelengths commonly used for the treatment of various...
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Displacements of chimney in the light of computer calculations and surveying
PublikacjaThe article presents the numerical analysis of reinforced concrete chimney displacements, which was carried out geodetic measurements.
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LattE- first-principles lattice energy calculations
PublikacjaCrystal engineering is currently attracting much interest. Its aim is to create materials of predefined properties fulfilling the requirements imposed by the applications. There are several parameters describing crystal structures, but the most important one is probably the energy of a crystal lattice. It is the energy released by the system when crystalline solid is formed out of molecules or ions in gaseous phase. Approximate...
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First-principles calculations of the lattice dynamics of CuInSe2
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A method for testing the wide-sense stationary uncorrelated scattering assumption fulfillment for an underwater acoustic channel
PublikacjaWide-sense stationary and uncorrelated scattering (WSSUS) assumptions are often applied for the statistical description of wireless communication channels. However, in the case of underwater acoustic channels the WSSUS model is of limited value. The degree of similarity of in-phase and quadrature components of the channel impulse response, measured with the use of bandpass modulated signals, can be used as an indicator of WSSUS...
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INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
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Electron Scattering from Methyl Formate (HCOOCH3): A Joint Theoretical and Experimental Study
PublikacjaElastic low-energy electron collisions with methyl formate have been studied theoretically at the level of various theories. The elastic integral cross section was calculated using Schwinger multichannel and R-matrix methods, in the static-exchange and static-exchange plus polarization levels of approximations for energies up to 15 eV. The absolute total cross section for electron scattering from methyl formate has been measured...
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Mixed, quantum-classical description of electron density transfer in the collision process
PublikacjaIn this work, we investigate an ion-atom model describing the time-dependent evolution of electron density during the collision. For a $S^{3+}- H$ system, numerical simulations are based on classical trajectory calculations, and the electron density behaviour is described with the time-dependent Schr\"odinger equation. We apply the finite difference method to obtain quantitative insights into the charge transfer dynamics, providing...
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Scattering of electrons from acetaldehyde and acetone
PublikacjaZmierzono całkowity przekrój czynny (TCS) na rozproszenie elektronów na drobinach acetaldehydu (CH3)CHO oraz acetonu (CH3)2CHO w zakresie energii zderzenia 0.7 - 400 eV. Charakter otrzymanych zależności energetycznych TCS jest typowy dla drobin o wysokim momencie dipolowym. Wyniki porównano z przekrojami czynnymi dla izomerów cyklicznych odpowiadających obu drobinom.
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Measurements of electron scattering in the backward direction
PublikacjaPrzedstawiono wyniki badań rozproszenia elektronów na atomach i cząsteczkach przeprowadzonych w zakresie dużych kątów rozproszenia do 180o.
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RAMAN SCATTERING TENSORS FOR ICE Ih
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SmallAngle Neutron Scattering Study of the Structure of Mixed Micellar Solutions Based on Nonionic and Two Cationic Surfactants
PublikacjaThe aggregation in mixed water systems based on nonionic surfactant, i.e., heptaethylene glycol monotetradecyl ether (C14E7), and cationic surfactants, i.e., cetyltrimethylammonium bromide (CTAB), and cetyltrimethylammonium chloride (CTAC) has been investigated using the smallangle neutron scattering method. The preliminary results of the study of the behavior of C14E7 aqueous solutions (for a concentration of 0.17%) when adding...
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublikacjaThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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Weak hydrogen bonding interaction S-H···O=C studied by FT-IR spectroscopy and DFT calculations
PublikacjaInteractions between the thiolate group of tri-tert-butoxysilanethiol (TBST) and carbonyl group of acetone are studied with the use of FT-IR spectroscopy and DFT calculations.
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Inter Applied Chemistry Programme 2 Petrov Quantum chemistry
Kursy OnlineInter Applied Chemistry Programme 2
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Mathematical analysis of the lasing eigenvalue problem for the optical modes in a layered dielectric cavity with a quantum well and distributed Bragg reflectors
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Synergy between AgInS2 quantum dots and ZnO nanopyramids for photocatalytic hydrogen evolution and phenol degradation
PublikacjaDespite the unique properties of single semiconductor nanomaterials and quantum dots, poor photocatalytic activity has characterized them and the fabrication of nanocomposites has become necessary to enhance their photocatalytic performance. Thus, AgInS2 quantum dots (AIS QDs, 4.0±1.6 nm), have been successfully prepared and loaded onto ZnO nanopyramids (ZnO NPy). The effect of the nominal amount of AIS QDs decorating ZnO NPy on...
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Future Directions in Quantum Materials Synthesis
PublikacjaThe following sections are included: Introduction The Current State of the Art The Frontiers Exploring the Frontiers Conclusion
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Bipartite correlations in quantum resonance states
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Two examples of Quantum Dynamical Semigroups
PublikacjaThe Hamiltonians of the considered bi-partite systems are of the form $$ H_{S,R} = H_S /times 1_R + Q_{S} /times M_R + 1_S /times H_R $$ Subindex $S$ corresponds to the observed system and $R$ to the reservoir (the enviroment of $S$). Two classes of systems are distinguished: the discrete-continuous...
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Correlation experiments in nonlinear quantum mechanics
PublikacjaPokazano w jaki sposób należy obliczać wieloczasowe i wielocząstkowe funkcje korelacyjne w nieliniowej mechanice kwantowej, aby zagwarantować lokalność formalizmu.
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Unifying classical and quantum key distillation
PublikacjaPrzypuśćmy, że dwie oddalone od siebie osoby, Alicja i Bob, oraz osoba z nimi niewspółpracująca, Ewa, mają dostęp do systemów kwantowych przygotowanych w stanie rho_ABE. Ponadto Alicja i Bob mogą używać lokalnych operacji i uwiarygodnionej komunikacji publicznej. Celem Alicji i Boba jest ustanowienie klucza, który nie będzie znany Ewie. Nasze badania inicjują podejście do wspomnianego zagadnienia oparte na unifikacji dwóch standardowych...
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Macroscopic models for quantum systems and computers
PublikacjaOpisano układy makroskopowe realizujące dwubitowe operacje kwantowe.
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Quantum channel capacities: multiparty communication
PublikacjaAnalizowane są różne aspekty wieloużytkownikowej komunikacji kwantowymi kanałami bez pamięci. Uogólnione zostały pewne znane rezultaty dotyczące komunikacji kwantowej w układzie jeden nadawca -jeden odbiorca. W szczególności pokazana została bezużyteczność komunikacji klasycznej ''w przód'' w procesie transmisji informacji kwantowej oraz równoważność definicji regionów pojemności opartych na różnych miarach wierności transmisji:...
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TelePOVM - A generalized quantum teleportation scheme.
PublikacjaPokazano, że kwantowa teleportacja jest specjalnym przypadkiem uogólnionej nielokalności EPR.
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Comment on ''Quantum Entropy and Special Relativity''
PublikacjaKomentarz na temat publikacji Peresa, Scudo i Terno.
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Properties of Oxygen Vacancy and Hydrogen Interstitial Defects in Strontium Titanate: DFT + Ud,p Calculations
PublikacjaThis work presents extensive theoretical studies focused on the mixed ion-electron transport in cubic strontium titanate (STO). A new approach to the description of this difficult system was developed within the framework of linear-scaling Kohn–Sham density functional theory, as realized in the ONETEP program. The description we present is free of any empirical parameters and relies on the Hubbard U and Hund’s J corrections applied...
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Marek Czachor prof. dr hab.
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Design, Synthesis, and Enzymatic Evaluation of Novel ZnO Quantum Dot-Based Assay for Detection of Proteinase 3 Activity
PublikacjaHerein, the synthesis and application of functionalized quantum dot-based protease probes is described. Such probes are composed of nontoxic ZnO nanocrystals decorated by amino groups followed by linker and labeled peptide attachment. Spherical NH2-terminated ZnO quantum dots (QDs) with the average size ranging from 4 to 8 nm and strong emission centered at 530 nm were prepared using the sol−gel method. The fluorescence of ZnO...
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Electromagnetic plane wave scattering from a cylindrical object with an arbitrary cross section using a hybrid technique
PublikacjaA hybrid technique combining finite-element and mode-matching methods for the analysis of scattering problems in open and closed areas is presented. The main idea of the analysis is based on the utilization of the finite-element method to calculate the post impedance matrix and combine it with external excitation. The discrete analysis, which is the most time- and memory-consuming, is limited here only to the close proximity of...
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[NF] Monographic lectures on physics: Quantum Collisions: Theoretical Foundations
Kursy Online{mlang pl} Dyscyplina: nauki fizyczne Zajęcia obowiązkowe dla doktorantów I i II roku Prowadzący: dr hab. Paweł Możejko, prof. PG; dr hab. Jan Franz, prof. PG Liczba godzin: 15 Forma zajęć: wykład {mlang} {mlang en} Discipline: physical sciences Obligatory course for 1st and 2nd-year PhD students Academic teachers: dr hab. Paweł Możejko, prof. PG; dr hab. Jan Franz, prof. PG Total hours of training: 15 teaching hours Course...
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Nondestructive methods complemented by FEM calculations in diagnostics of cracks in bridge approach pavement
PublikacjaNondestructive methods of road pavement diagnostics are an alternative to traditional approach to pavement failure investigation. The article presents a detailed multidisciplinary inspection carried out using ground-penetrating radar (GPR), laser scanning technology and finite element method (FEM) calculations. It was done in order to assess the factors that contributed to occurrence of premature cracks of a bridge approach pavement....
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A new quantum-inspired approach to reduce the blocking probability of demands in resource-constrained path computation scenarios
PublikacjaThis article presents a new approach related with end-to-end routing, which, owing to quantum-inspired mecha-nisms of prediction of availability of network resources, results in improved blocking probability of incoming requests to establish transmission paths. The proposed scheme has been analyzed for three network topologies and several scenarios of network load. Obtained results show a significant (even twofold) reduction of...
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Calculations of notch stress factor of a thin-walled spreader bracket fillet weld with the use of a local stress approach
PublikacjaPresence of geometric notches in welded joints causes concentration of strains and stresses, therefore reducing fatigue strength of such joints. This article presents an analysis of stress concentrations in a fillet weld of a spreader mounting bracket on a small sailing yacht. The aim of this article is to direct the attention of designers, manufacturers and regulatory bodies to issues of fatigue cracks that form in brackets fastening...
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Binary Grating of Subwavelength Silver and Quantum Wires as a Photonic-Plasmonic Lasing Platform With Nanoscale Elements
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Cost-Effective and Sufficiently Precise Integration Method Adapted to the FEM Calculations of Bone Tissue
PublikacjaThe technique of Young’s modulus variation in the finite element is not spread in biomechanics. Our future goal is to adapt this technique to bone tissue strength calculations. The aim of this paper is to present the necessary studies of the element’s integration method that takes into account changes in material properties. For research purposes, a virtual sample with the size and distribution of mechanical properties similar...
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Electron scattering cross sections for 1-pentene, H2C=CH-(CH2)2CH3, molecules
PublikacjaCross sections, both experimental and theoretical, are reported for electron scattering from 1-pentene (C5H10) molecules. Absolute grand-total cross sections (TCSs) were measured at electron impact energies ranging from 1 to 300 eV, using a linear electron-transmission technique. The dominant behaviour of the experimental TCS energy function is a distinct asymmetric enhancement with the maximum located around 6.5 eV. Discernible...
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Ultrasonic Tomography of Brick Columns Based on FEM Calculations
PublikacjaUltrasonic tomography is one of the most developed method of non-destructive testing. Despite being used mainly in medicine, it is becoming more and more popular as a method for monitoring of structural elements. It allows to examine the internal structure and technical condition of the tested element. This paper investigates the influence of crosssectional geometry on an obtained tomographic image. Wave propagation signals were...
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Relativity of the simplified runoff calculations for rainwater drainage system
PublikacjaW artykule przedstawiono problem względności wyników uproszczonych obliczeń spływu wód opadowych dla potrzeb systemów kanalizacji deszczowej, wynikającą zarówno z uproszczeń przy wyborze modelu obliczeniowego, jak i dostępności danych i szacunkowości stosowanych współczynników obliczeniowych. Szczególny nacisk został położony na rolę współczynnika spływu oraz sposobu określania czasu koncentracji i czsu trwania deszczu w zlewni....
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Mathematical model and numerical calculations of the pelagic trawl system
PublikacjaW pracy przedstawiono matematyczny model ruchu środka ciężkości zestawu do trałowania pelagicznego wraz z wyznaczaniem jego parametrów geometrycznych. Pokazano także sposób rozwiązania i przykładowe wyniki obliczeń numerycznych. Opracowany program komputerowy może być wykorzystywany do wyznaczania optymalnych parametrów pracy dla zapewnienia bezpiecznych, efektywnych i ekologicznych połowów pelagicznych
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Earthworks calculations due to reconstruction of railway geometrical layout
PublikacjaThe paper characterizes continuation of ongoing work of computer program MUGO which is connected with earthworks. The program is related to the modernization of the railway track layout. The methodology for the calculating the size of earthworks in the areas of embankments on the two way railway line is discussed in detail.
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The Quantum Efficiency Roll-Off Effect in Near-Infrared Organic Electroluminescent Devices with Iridium Complexes Emitters
PublikacjaThe electroluminescence quantum efficiency roll-off in iridium(III)-based complexes, namely Ir(iqbt)2(dpm) and Ir(iqbt)3(iqbt=1 (benzo[b]thiophen-2-yl)-isoquinolinate, dpm=2,2,6,6-tetramethyl-3,5-heptanedionate) utilized as near-infrared emitters in organic light emitting diodes with remarkable external quantum efficiencies, up to circa 3%, 1.5% and 1%, are measured and analyzed. With a 5–6 weight % of emitters embedded...
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The reductivity of the transition metals - calculations
Dane BadawczeThe dataset includes the reduction enthalpy and Gibbs energy simulated for Co, Cu, Fe, La, Mo, Ni, Sr, Ti, and W from oxide form into metallic form in hydrogen. Simulations were performed using HSC Chemistry software.
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Syntheses, spectroscopic and structural properties of phenoxysilyl compounds: X-ray structures, FT-IR and DFT calculations
PublikacjaThe reaction of silicon disulfide with alkylphenols leads to tetraphenoxysilane, cyclodisilthiane and silanethiol. The products of the reaction of silicon disulfide with phenols are characterized by FT-IR, NMR, X-ray diffraction and DFT calculations. The intramolecular interactions in the compounds are mainly XH---π (X = C, S) whereas the intermolecular interactions are either very weak CH---π/CH---O contacts found in aryloxysilane...
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Stannates, titanates and tantalates modified with carbon and graphene quantum dots for enhancement of visible-light photocatalytic activity
PublikacjaMost efforts in heterogeneous photocatalysis are focused on development of new and stable photoactive materials efficient in degradation of various pollutants under visible-light irradiation. In this regard, the wide-bandgap perovskite semiconductors, i.e., SrTiO3 (titanate), SrSnO3 (stannate) and AgTaO3 (tantalate), were prepared by a solvothermal method, and then modified with carbon quantum dots (CQDs) or graphene quantum dots...
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Electron-hexafluoropropene (C3F6) scattering at intermediate energies
PublikacjaPrzedstawiono wyniki pomiarów całkowitego absolutnego przekroju czynnego dla drobiny C3F6, w zakresie energii 30-370 eV. Pomiary były przeprowadzone na aparaturze pracującej w oparciu o liniową metodę transmisyjną. Przedyskutowano cechy energetycznego widma przekroju czynnego dla drobin perfluorowanych.
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Low-energy electron-hexafluoropropene (C3F6) scattering
PublikacjaZmierzono przekrój czynny na rozproszenie elektronów na drobinie C3F6 a zakresie energii 0.5 - 30 eV. Zaobserwowano dwa maksima o charakterze rezonansowym dla energii 3.2 eV oraz 9.5 eV. Wykazano wyraźny wpływ fluoryzacji na otrzymywane zależności energetyczne przekroju czynnego.
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Plane wave scattering by an array of metamaterial cylinders
PublikacjaMetodę dopasowania rodzajów zastosowano do połączenia zastępczego pola rozproszonego od dowolnej konfiguracji prętów dielektrycznych lub wykonanych z metamateriału z pobudzeniem falą płaską. Zaprezentowano charakterystyki rozpraszania w strefie dalekiej dla jednego i dwóch prętów dielektrycznych lub wykonanych z metamateriału przy pobudzeniu falą płaską.
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Oblique scattering by an array of conducting and dielectric cylinders
PublikacjaMetodę dopasowania rodzajów zastosowano do połączenia zastępczego pola rozproszonego od dowolnej konfiguracji prętów metalowych i dielektrycznych z falą płaską padającą pod dowolnym kątem na określoną strukturę. Zaprezentowano charakterystyki rozpraszania w strefie dalekiej dla konfiguracji czterech, pięciu i siedmiu prętów metalowych i dielektrycznych umieszczonych w cylindrycznym obszarze wypełnionym dielektrykiem przy skośnym...