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NUMERICAL ANALYSIS OF SPECIES DIFFUSION AND METHANOL DECOMPOSITION IN THERMOCATALYTIC REACTOR BASED ON THE INTERMETALLIC PHASE OF Ni3Al FOR LOW REYNOLDS NUMBERS
PublikacjaNumerical modelling of hydrogen production by means of methanol decomposition in a thermocatalytic reactor using corrugated foil made of the Ni3Al intermetallic phase is shown in the paper. Experimental results of the flow analysis of mixtures containing helium and methanol in a thermocatalytic reactor with microchannels were used for the initial calibration of the CFD calculations (calculations based on the Computational Fluid...
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FPGA implementation of reverse residue conversion based on the new Chinese Remainder Theorem II- Part II,- Experimantal results
PublikacjaW pracy opisano realizację sprzętową konwertera z systemu resztowego do systemu binarnego. Konwerter jest oparty na nowej formie chińskiego twierdzenia o resztach CRT II. Teoretyczne aspekty takiej konwersji przedstawiono w części I. Implementację konwertera wykonano w środowisku Xilinx FPGA. Zaprezentowano ogólną architekturę konwertera, a także opisano realizację wybranych bloków. Podano ilość koniecznych zasobów sprzętowych...
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Analysis of pesticide residue in tomato samples using analytical protocol based on application of QuEChERS technique and GC-ECD system
PublikacjaQuEChERS sample preparation method was used for the determination of 10 pesticides and their metabolites in tomato samples, coupled to gas chromatography with electron capture detector (GCECD). The experimental parameters including oven temperature program, amount of the sample and purifying agent were optimized. The GC-ECD method was validated in terms of linearity, selectivity and recovery. The limits of detection (LODs) of the...
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Prediction of protein structure using a knowledge-based off-lattice united-residue force field and global optimization methods
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Raman and surface-enhanced Raman spectroscopy investigation of vasopressin analogues containing 1-aminocyclohexane-1-carboxylic acid residue
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Reducing the number of periodic points in the smooth homotopy class of a self-map of a simply-connected manifold with periodic sequence of Lefschetz numbers
PublikacjaLet f be a smooth self-map of an m-dimensional (m >3) closed connected and simply-connected manifold such that the sequence of the Lefschetz num- bers of its iterations is periodic. For a fixed natural r we wish to minimize, in the smooth homotopy class, the number of periodic points with periods less than or equal to r. The resulting number is given by a topological invariant J[f] which is defned in combinatorial terms and is...
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Analysis of pesticide residue in fruits and vegetables using analytical analytical protocol based on application of QuEChERS technique and GC-ECD system
PublikacjaQuEChERS sample preparation method was used for the determination of 10 pesticides and their metabolites in fruits (apple, grape) and vegetables (tomato, paprika), coupled to gas chromatography with electron capture detector (GC-ECD). The experimental parameters including amount of the sample, types of solvents, extraction time and types of sorbent at the purification stage were optimized. The GC-ECD method was validated in terms...
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Mn-Co spinel coatings on Crofer 22 APU by electrophoretic deposition: Up scaling, performance in SOFC stack at 850 °C and compositional modifications
PublikacjaCeramic coatings for metallic interconnects play a key role in limiting corrosion and chromium evaporation in solid oxide cells. This study presents the upscaling of the electrophoretic deposition (EPD) technique to process Mn-Co spinels on real-dimension Crofer 22 APU interconnects and the test in a SOFC stack. Area specific resistance of long-term test conducted for 5000 h at 850 °C demonstrated that two-steps sintering has a...
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Dendron to Central Core S1–S1 and S2–Sn (n>1) Energy Transfers in Artificial Special Pairs Containing Dendrimers with Limited Numbers of Conformations
PublikacjaTwo dendrimers consisting of a cofacial free-base bisporphyrin held by a biphenylene spacer and functionalized with 4-benzeneoxomethane (5-(4-benzene)tri-10,15,20-(4-n-octylbenzene)zinc(II)porphyrin) using either five or six of the six available meso-positions, have been synthesized and characterized as models for the antenna effect in Photosystems I and II. The presence of the short linkers, -CH2O-, and long C8H17 soluble side...
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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
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Study on effectiveness of PVC/β-diketone sorbent in removing residue of Zn(II), Cr(III) and Ni(II) from post-galvanic wastewater
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A Hierarchical Multiscale Approach to Protein Structure Prediction: Production of Low‐Resolution Packing Arrangements of Helices and Refinement of the Best Models with a United‐Residue Force Field
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Executing Multiple Simulations in the MERPSYS Environment
PublikacjaThe chapter investigates the steps necessary to perform a simulation instance in the MERPSYS environment and discusses potential limitations in case when vast numbers of simulations are required. An extended architecture is proposed which includes a JMS-based simulation queue and multiple distributed simulators, overcoming the potential bottlenecks. The chapter introduces also methods for preparing suites of multiple simulations...
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Modification and Optimization of the United-Residue (UNRES) Potential Energy Function for Canonical Simulations. I. Temperature Dependence of the Effective Energy Function and Tests of the Optimization Method with Single Training Proteins
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Fast, sensitive and reliable multi-residue method for routine determination of 34 pesticides from various chemical groups in water samples by using dispersive liquid – liquid microextraction coupled with gas chromatography – mass spectrometry
PublikacjaA simple and efficient dispersive liquid-liquid microextraction technique (DLLME) was developed by using a mixture of two solvents: 40 μL of tetrachlorethylene (extraction solvent) and 1.0 mL of methanol (disperser solvent), which was rapidly injected with a syringe into 10mL ofwater sample. Some important parameters affecting the extraction efficiency, such as type and volume of solvents, water sample volume, extraction time,...
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Pipelined Two-Operand Modular Adders
PublikacjaPipelined two-operand modular adder (TOMA) is one of basic components used in digital signal processing (DSP) systems that use the residue number system (RNS). Such modular adders are used in binary/residue and residue/binary converters, residue multipliers and scalers as well as within residue processing channels. The structure of pipelined TOMAs is usually obtained by inserting an appropriate number of pipeline register layers within...
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Wirówka geotechniczna - historia, modelowanie i współczynniki skali
PublikacjaRozwój modelowania zjawisk geotechnicznych w wirówce. Historia rozwoju urządzenia. Przyczyny wykorzystania wirówki geotechnicznej przez ośrodki naukowe i biura inżynieryjne. Obecny status urządzenia w edukacji i przemyśle. Podstawy teoretyczne badań modelowych w wirówce geotechnicznej. Lista wybranych zależności korelacyjnych. Przegląd i dyskusja wybranych współczynników skali.
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Comprehensive Comparison of a Few Variants of Cluster Analysis as Data Mining Tool in Supporting Environmental Management
PublikacjaA few variants of hierarchical cluster analysis (CA) as tool of assessment of multidimensional similarity in environmental dataset are compared. The dataset consisted of analytical results of determination of metals (Na, K, Ca, Sc, Fe, Co, Zn, As, Br, Rb, Mo, Sb, Cs, Ba, La, Ce, Sm, Hf and Th) in ambient air dried and kept alive, by the means of hydroponics, moss baskets collected in 12 locations on the area of Tricity (Poland)....
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Low-Barrier Hydrogen Bond Determines Target-Binding Affinity and Specificity of the Antitubercular Drug Bedaquiline
PublikacjaThe role of short strong hydrogen bonds (SSHB) in ligand-target binding remains largely unexplored, thereby hin- dering a potentially important avenue in the rational drug de- sign. Here, we investigate the interaction between bedaquiline (Bq), a potent anti-tuberculosis drug, and the mycobacterial ATP synthase, to unravel the role of a specific hydrogen bond to a conserved acidic residue in the target affinity and specificity....
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Design of Microstrip UWB Balun Using Quasi-TEM Approach Aided by the Artificial Neural Network
PublikacjaThe design procedure for UWB balun realized in the microstrip technology is proposed in the paper. The procedure applies Artificial Neural Network which corrects the dimensions of the approximate design found by appropriate scaling of the dimensions of the prototype. The scale coefficients for longitudinal and transverse dimensions of microstrip lines are determined from electromagnetic modeling based on transmission line equations....
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Low-energy positron scattering from gas-phase benzene
PublikacjaIn this paper we are presenting calculations of the elastic cross section of positrons with gas-phase benzene for the energy range from 0.25 eV to 9.0 eV. The calculations are done with the molecular R-matrix method for positron-scattering from poly-atomic molecules using a scaling factor to scale the electron-positron interaction. The scaling factor influences the position of the poles of the R-matrix. We adjust the scaling factor...
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Liczby Ramseya on-line dla różnych klas grafów
PublikacjaRozpatrujemy grę rozgrywaną na nieskończonej liczbie wierzchołków, w której każda runda polega na wskazaniu krawędzi przez jednego gracza - Budowniczego oraz pokolorowaniu jej przez drugiego gracza - Malarkę na jeden z dwóch kolorów, czerwony lub niebieski. Celem Budowniczego jest zmuszenie Malarki do stworzenia monochromatycznej kopii wcześniej ustalonego grafu H w jak najmniejszej możliwej liczbie ruchów. Zakładamy, że gracze...
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Increasing accuracy of frequency estimation by decimation. W: [CD-ROM]EUSIPCO 2002. XI European Signal Processing Conference. Toulouse, France, September 3-6, 2002. [B.m.]: New Medias**2002 [4 s. 3 rys. bibliogr. 6 poz.] Page numbers in the proceedings: Volume 3, s. 135-138. Zwiększanie dokładności estymacji częstotliwości poprzez decymację.
PublikacjaArtykuł rozważa problem estymacji częstotliwości zaszumionego, sinusoidalne-go sygnału zespolonego. Częstotliwość wyznaczana jest w oparciu o autoregre-syjny model sygnału. W pracy wykazano, że wprowadzenie decymacji sygnału po-zwala na redukcję rzędu modelu autoregresyjnego, a tym samym powoduje znacz=ne zmniejszenie złożoności obliczeniowej metody.
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Experimental investigations on heat transfer enhancement in shell coil heat exchanger with VARIABLE Baffles GEOMETRY
PublikacjaThe paper presents the possibility of using passive intensification of heat transfer in the form of baffles to increase the energy efficiency of the shell and coil heat exchanger. The experiment was carried out by using a modular coil heat exchanger in the form of an electric heater. Water was used as a working fluid with constant thermal-flow parameters at the inlet of the module. It should be noted that experiments were made...
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Total chromatic sum for trees
PublikacjaThe total chromatic sum of a graph is the minimum sum of colors (natural numbers) taken over all proper colorings of vertices and edges of a graph. We provide infinite families of trees for which the minimum number of colors to achieve the total chromatic sum is equal to the total chromatic number. We construct infinite families of trees for which these numbers are not equal, disproving the conjecture from 2012.
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Complexity Issues on of Secondary Domination Number
PublikacjaIn this paper we study the computational complexity issues of the problem of secondary domination (known also as (1, 2)-domination) in several graph classes. We also study the computational complexity of the problem of determining whether the domination and secondary domination numbers are equal. In particular, we study the influence of triangles and vertices of degree 1 on these numbers. Also, an optimal algorithm for finding...
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Optical recognition elements: macrocyclic imidazole chromoionophores entrapped in silica xerogel
PublikacjaMaterials containing new chromoionophores consisting of crown residue and azole moiety as partsof macrocycles were encapsulated by the sol-gel procedure in silica xerogel matrices and proposed aschemical recognition elements especially for such metal ions as Li+, Cs+ and Cu2+. Action of these recognition elements is in principle based on changes of reflectance. The recognition elements containing 21-membered chromogenic...
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Product Graph Invariants with Applications in the Theory of Information
PublikacjaThere are a large number of graph invariants. In the paper, we consider some of them, e.g. the independence and chromatic numbers. It is well know that we cannot efficiently calculate these numbers for arbitrary graphs. In the paper we present relations between these invariants and concepts from the theory of information. Concepts such as source coding and transmission over a noisy channel with zero probability of error are modeled...
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Music Mood Visualization Using Self-Organizing Maps
PublikacjaDue to an increasing amount of music being made available in digital form in the Internet, an automatic organization of music is sought. The paper presents an approach to graphical representation of mood of songs based on Self-Organizing Maps. Parameters describing mood of music are proposed and calculated and then analyzed employing correlation with mood dimensions based on the Multidimensional Scaling. A map is created in which...
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The PRNS butterfly in the FPGA technology
PublikacjaW publikcaji zaprezentowano koncepcję realizacji motylka konwesji wejściowej w Wielomianowym Systemie Resztowym (Polynoamil Residue Number System, PRNS). Omówiono wykorzystanie reprezentacji liczb w systemie diminished-1 w prezentowanym rozwiązaniu oraz przedstawiono wynik syntezy ukłądu w środowisku Xilinx ISE.
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New Proofs of Some Fibonacci Identities
PublikacjaLucas proved in 1876 several identities for Fibonacci numbers. We give elementary and short proofs of them.
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(1H-Pyrazole-[kappa]N)bis(tri-tert-butoxysilanethiolato-[kappa]2O,S)cadmium
PublikacjaThe CdII atom in the title complex, [Cd(C12H27O3SSi)2-(C3H4N2)], is penta-coordinated by two O and two S atoms from the O,S-chelating silanethiolate residue and one pyrazole N atom in a distorted trigonal-bipyramidal geometry. The pyrazole ligand forms an intramolecular N-H---O hydrogen bond.
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Low-Cost Surrogate Models for Microwave Filters
PublikacjaA novel low-cost kriging-based multivariable parametric macromodeling technique for microwave filters is presented. Kriging is used to model both the residues and poles of a microwave filter's reflection coefficient, and the zeros of the transmission coefficient. The proposed residue-pole-zero (RPZ) technique is demonstrated to efficiently model a high dimensional (8D) microwave filter with pseudoelliptic characteristics.
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Implementation of Addition and Subtraction Operations in Multiple Precision Arithmetic
PublikacjaIn this paper, we present a digital circuit of arithmetic unit implementing addition and subtraction operations in multiple-precision arithmetic (MPA). This adder-subtractor unit is a part of MPA coprocessor supporting and offloading the central processing unit (CPU) in computations requiring precision higher than 32/64 bits. Although addition and subtraction operations of two n-digit numbers require O(n) operations, the efficient...
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Comparison of various speech time-scale modificartion methods
PublikacjaThe objective of this work is to investigate the influence of the different time-scale modification (TSM) methods on the quality of the speech stretched up using the designed non-uniform real-time speech time-scale modification algorithm (NU-RTSM). The algorithm provides a combination of the typical TSM algorithm with the vowels, consonants, stutter, transients and silence detectors. Based on the information about the content and...
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Accelerated Re-Design of Antenna Structures Using Sensitivity-Based Inverse Surrogates
PublikacjaThe paper proposes a novel framework for accelerated re-design (dimension scaling) of antenna structures using inverse surrogates. The major contribution of the work is a sensitivity-based model identification procedure, which permits a significant reduction of the number of reference designs required to render the surrogate. Rigorous formulation of the approach is supplemented by its comprehensive numerical validation using a...
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Macrocyclic derivatives of imidazole as chromoionophores for bismuth(III)/lead(II) pair
Publikacja18-membered diazomacrocycles with imidazole or 4-methylimidazole residue as a part of macrocycle were used as chromoionophores in bismuth(III) and lead(II) dual selective optodes for the first time. Cellulose triacetate membranes doped with macrocyclic chromoionophores are bismuth(III) and lead(II) selective with color change from orange/red to different shades of blue and violet, respectively. Results obtained for model and real...
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Characteristics of volatile organic compounds emission profiles from hot road bitumens
PublikacjaA procedure for the investigation and comparison of volatile organic compounds (VOCs) emission profiles to the atmosphere from road bitumens with various degrees of oxidation is proposed. The procedure makes use of headspace analysis and gas chromatography with universal as well as selective detection, including gas chromatography–mass spectrometry (GC–MS). The studies revealed that so-called vacuum residue, which is the main component...
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Periodic expansion in determining minimal sets of Lefschetz periods for Morse–Smale diffeomorphisms
PublikacjaWe apply the representation of Lefschetz numbers of iterates in the form of periodic expansion to determine the minimal sets of Lefschetz periods of Morse–Smale diffeomorphisms. Applying this approach we present an algorithmic method of finding the family of minimal sets of Lefschetz periods for Ng, a non-orientable compact surfaces without boundary of genus g. We also partially confirm the conjecture of Llibre and Sirvent (J Diff...
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FPGA implementation of the multiplication operation in multiple-precision arithmetic
PublikacjaAlthough standard 32/64-bit arithmetic is sufficient to solve most of the scientific-computing problems, there are still problems that require higher numerical precision. Multiple-precision arithmetic (MPA) libraries are software tools for emulation of computations in a user-defined precision. However, availability of a reconfigurable cards based on field-programmable gate arrays (FPGAs) in computing systems allows one to implement...
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The influence of microjet array area ratio on heat transfer in the compact heat exchanger
PublikacjaThe paper describes the comprehensive study on the effect of microjet array geometrical parameters on the heat transfer enhancement in the modular heat exchanger. The conducted experimental study provides an experimental database on single phase submerged microjet heat transfer. The Wilson plot method was applied to determine the heat transfer coefficients in the laminar and transition flow regimes of a liquid-to-liquid heat exchanger....
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Pure cross-anisotropy for geotechnical elastic potentials
PublikacjaThe pure cross-anisotropy is understood as a special scaling of strain (or stress). The scaled tensor is used as an argument in the elastic stiffness (or compliance). Such anisotropy can be overlaid on the top of any elastic stiffness, in particular on one obtained from an elastic potential with its own stress-induced anisotropy. This superposition does not violate the Second Law. The method can be also applied to other functions...
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A survey on known values and bounds on the Shannon capacity
PublikacjaIn this survey we present exact values and bounds on the Shannon capacity for different classes of graphs, for example for regular graphs and Kneser graphs. Additionally, we show a relation between Ramsey numbers and Shannon capacity.
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RNS/TCS CONVERTER DESIGN USING HIGH-LEVEL SYNTHESIS IN FPGA
PublikacjaAn experimental high-level synthesis (HLS) of the residue number system (RNS) to two’s-complement system (TCS) converter in the Vivado Xilinx FPGA environment is shown. The assumed approach makes use of the Chinese Remainder Theorem I (CRT I). The HLS simplifies and accelerates the design and implementation process, moreover the HLS synthesized architecture requires less hardware by about 20% but the operational frequency is smaller...
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Benchmarking overlapping communication and computations with multiple streams for modern GPUs
PublikacjaThe paper presents benchmarking a multi-stream application processing a set of input data arrays. Tests have been performed and execution times measured for various numbers of streams and various compute intensities measured as the ratio of kernel compute time and data transfer time. As such, the application and benchmarking is representative of frequently used operations such as vector weighted sum, matrix multiplication etc....
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The prns butterfly synthesis in the FPGA
Publikacjaw pracy przedstawiono sprzętową implementację elementarnych obliczeń, określanych jako obliczenia motylkowe, dla splotu realizowanego z użyciem wielomianowego systemu resztowego(ang. polynomial residue number system - prns). obliczenia są wykonywane z zastosowaniem reprezentacji systemu diminished-1. opisano syntezę układu realizującego obliczenie motylkowe w środowisku xilinx w układzie virtex 4. podano również wymaganą ilość...
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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublikacjaDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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Multiple output CMOS current amplifier
PublikacjaIn this paper the multiple output current amplifier basic cell is proposed. The triple output current mirror and current follower circuit are described in detail. The cell consists of a split nMOS differential pair and accompanying biasing current sources. It is suitable for low voltage operation and exhibits highly linear DC response. Through cell devices scaling, not only unity, but also any current gains are achievable. As...
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Edge subdivision and edge multisubdivision versus some domination related parameters in generalized corona graphs
PublikacjaGiven a graph G= (V, E), the subdivision of an edge e=uv∈E(G) means the substitution of the edge e by a vertex x and the new edges ux and xv. The domination subdivision number of a graph G is the minimum number of edges of G which must be subdivided (where each edge can be subdivided at most once) in order to increase the domination number. Also, the domination multisubdivision number of G is the minimum number of subdivisions...
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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes
PublikacjaLinear-scaling density functional theory simulation of methylated imogolite nanotubes (NTs) elucidates the interplay between wall-polarization, bands separation, charge-transfer excitation, and tunable electrostatics inside and outside the NT-cavity. The results suggest that integration of polarization-enhanced selective photocatalysis and chemical separation into one overall dipole-free material should be possible.