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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes
PublicationLinear-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.
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An approximation algorithm for maximum P3-packing in subcubic graphs
PublicationW pracy podano algorytm 4/3-przyliżony dla trudnego obliczeniowo problemu umieszczania wierzchołkowo rozłącznych dwukrawędziowych ścieżek w grafach o stopniu maksymalnym 3 i stopniu minimalnym 2. Poprawiono tym samym wcześniejsze wyniki dla grafów kubicznych (A. Kelmans, D. Mubayi, Journal of Graph Theory 45, 2004).
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On Solvability of Boundary Value Problems for Elastic Micropolar Shells with Rigid Inclusions
PublicationIn the framework of the linear theory of micropolar shells, existence and uniqueness theorems for weak solutions of boundary value problems describing small deformations of elastic micropolar shells connected to a system of absolutely rigid bodies are proved. The definition of a weak solution is based on the principle of virial movements. A feature of this problem is non-standard boundary conditions at the interface between the...
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Workshop on Applications of Graph Theory in Wireless Ad hoc Networks and Sensor Networks
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On Nonlinear Bending Study of a Piezo-Flexomagnetic Nanobeam Based on an Analytical-Numerical Solution
PublicationAmong various magneto-elastic phenomena, flexomagnetic (FM) coupling can be defined as a dependence between strain gradient and magnetic polarization and, contrariwise, elastic strain and magnetic field gradient. This feature is a higher-order one than piezomagnetic, which is the magnetic response to strain. At the nanoscale, where large strain gradients are expected, the FM effect is significant and could be even dominant. In...
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Thermomagnetic behavior of a semiconductor material heated by pulsed excitation based on the fourth-order MGT photothermal model
PublicationThis article proposes a photothermal model to reveal the thermo-magneto-mechanical properties of semiconductor materials, including coupled diffusion equations for thermal conductivity, elasticity, and excess carrier density. The proposed model is developed to account for the optical heating that occurs through the semiconductor medium. The Moore–Gibson–Thompson (MGT) equation of the fourth-order serves as the theoretical framework...
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The influence of polypropylene-block/graft-polycaprolactone copolymers on melt rheology, morphology, and dielectric properties of polypropylene/polycarbonate blends
PublicationThe paper discusses the relationship between rheology and morphology of immiscible polypropylene (matrix))/polycarbonate (dispersed phase) blends compatibilized with novel polypropylene-polycaprolactone block and graft copolymers. Transmission electron microscopy (TEM) experiments revealed uniform droplet morphologies and a reduction of the average size of the dispersed phase upon addition of the compatibilizer. The results suggested...
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Buckling resistance of a metal column in a corrugated sheet silo - experiments and non-linear stability calculations
PublicationThe results of experimental and numerical tests of a single corrugated sheet silo column’s buckling resistance are presented in this study. The experiments were performed in a real silo with and without bulk solid (wheat). A very positive impact of the bulk solid on the column buckling resistance occurred. The experimental results were first compared to the buckling resistance calculated by Eurocode 3 formulae. The comparison revealed that...
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Karolina Krośnicka dr hab. inż. arch.
PeopleKarolina A. Krośnicka, Ph.D., D.Sc., Eng. Arch., is associated professor at Department of Urban Design and Regional Planning, Faculty of Architecture, Gdańsk University of Technology (Poland). For many years (1998 – 2016) she was employed at the Department of Transport and Logistics at the Faculty of Navigation at Gdynia Maritime University (Gdynia, Poland), where she was mostly involved in issues connected with seaports and port...
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Speed sensorless asynchronous motor drive with inverter output lc filter
PublicationIn this paper a speed sensorless ac drive with inverter and output LC filter is proposed. A nonlinear, decoupled field oriented control algorithm with a flux and speed close-loop observer is used. In spite of using LC filter on the inverter output, the sensorless system works precisely. That result are obtained as a result of the appropriate estimation and control system use. The theory, simulation, and experimental results are...
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Green function diagonal for a class of heat equations
PublicationA construction of the heat kernel diagonal is considered as element of generalized zeta function theory, which gradient at the origin defines determinant of a differential operator in a technique for regularizing quadratic path integral. Some classes of explicit expressions of the Green function in the case of finite-gap potential coefficient of the heat equation are constructed. An algorithm and program for Mathematica are presented...
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Architektura jako nauka:eksperyment - teoria - historia
PublicationAutorka prezentuje architekturę jako dyscyplinę naukową. Ukazuje trzy obszary badawcze architektury: eksperyment, teorię i historię. Przedstawia elementy projektowanie architektonicznego jako pewien typ eksperymentu naukowego. Ukazuje również rolę teorii architektury i historii architektury w problematyce badawczej tej dyscypliny. Przedstawia całe zagadnienie w szerokim kontekście kulturowym - od czasów antycznych po współczesne...
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The impact of internal and international migration on regional convergence in Poland
PublicationAccording to neoclassical theory, migration is expected to speed up the convergence process between countries (Barro, Sala-i-Martin 2004). The flow of labour from low-wage regions to high-wage regions should equalise payrolls. However, the impact of migration on convergence rates is unclear when the labour flow is heterogeneous. Moreover, the movement of labour towards wealthier areas depresses the demand for goods, services and...
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Thin-walled frames and grids - statics and dynamics
PublicationFrames and grids assembled with thin-walled beams of open cross-section are widely applied in various civil engineering and vehicle or machine structures. Static and dynamic analysis of theses structures may be carried out by means of different models, startingfrom the classical models made of beam elements undergoing the Kirchhoff assumptions to the FE discretization of whole frame into plane elements. The former model is very...
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Studies on formation and percolation in ionic liquids/TX-100/water microemulsions
PublicationTernary microemulsion systems of H2O/Triton X-100/[BMIM][Tf2N], and H2O/Triton X-100/[BMIM][PF6] were prepared, compared and characterized for phase behavior for different water/surfactant ratios, at 25 °C. It was found that a change of an anion structure in the ionic liquids determines the total monophasic area of the systems. A liquid crystalline mesophase was detected in H2O/Triton X-100/[BMIM][PF6]. The microemulsion domains...
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General solution of quantum mechanical equations of motion with time-dependent Hamiltonians: A Lie algebraic approach
PublicationThe unitary operators U(t), describing the quantum time evolution of systems with a time-dependent Hamiltonian, can be constructed in an explicit manner using the method of time-dependent invariants. We clarify the role of Lie-algebraic techniques in this context and elaborate the theory for SU(2) and SU(1,1). In these cases we give explicit formulae for obtaining general solutions from special ones. We show that the constructions...
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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublicationTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
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Photoinduced electron transfer in 5-bromouracil labeled DNA. A contrathermodynamic mechanism revisited by electron transfer theories
PublicationThe understanding of the 5-bromouracil (BrU) based photosensitization mechanism of DNA damage is of large interest due to the potential applications in photodynamic therapy. Photoinduced electron transfer (ET) in BrU labeled duplexes comprising the 50 -GBrU or 50 -ABrU sequence showed that a much lower reactivity was found for the 50 -GBrU pattern. Since the ionization potential of G is lower than that of A, this sequence selectivity...
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An isogeometric finite element formulation for boundary and shell viscoelasticity based on a multiplicative surface deformation split
PublicationThis work presents a numerical formulation to model isotropic viscoelastic material behavior for membranes and thin shells. The surface and the shell theory are formulated within a curvilinear coordinate system,which allows the representation of general surfaces and deformations. The kinematics follow from Kirchhoff–Love theory and the discretization makes use of isogeometric shape functions. A multiplicative split of the surface...
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Evolutionary benefits of personality traits when facing workplace bullying
PublicationFacing workplace bullying negatively affects physical and mental health, and consequently quality of life and well-being. Personality traits that can help an individual survive and reproduce entail more benefits than costs. Building on two evolutionary theories, Life History Theory and Costly Signaling Theory, this study aims to provide novel insights into how and why personality traits are associated with facing workplace bullying...
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Mechanism of Li nucleation at graphite anodes and mitigation strategies
PublicationLithium metal plating is a critical safety issue in Li-ion cells with graphite anodes, and contributes significantly to ageing, drastically limiting the lifetime and inducing capacity loss. Nonetheless, the nucleation mechanism of metallic Li on graphite anodes is still poorly understood. But in-depth understanding is needed to rationally design mitigation measures. In this work, we conducted FirstPrinciples studies to elucidate...
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[NF] Physics research methods. Part III
e-Learning CoursesKurs realizowany wspólnie dla doktorantów szkoły doktorskiej i studiów doktoranckich The course is conducted jointly for PhD students of the doctoral school and doctoral studies Franco Bagnoli, University of Florence, Italy - "Thermodynamics, Statistical Mechanics, and Kinetic Gas Theory https://enauczanie.pg.edu.pl/moodle/course/view.php?id=5259 Course type: lecture Total hours of training (part III): 15 teaching hours
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[NF] Physics research methods. Part II.
e-Learning CoursesKurs realizowany wspólnie dla doktorantów szkoły doktorskiej i studiów doktoranckich The course is conducted jointly for PhD students of the doctoral school and doctoral studies Franco Bagnoli, University of Florence, Italy - "Thermodynamics, Statistical Mechanics, and Kinetic Gas Theory with a computational perspective. https://enauczanie.pg.edu.pl/moodle/course/view.php?id=5259 Course type: lecture Total hours of training...
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Heat Turbomachinery 2023_24
e-Learning CoursesBasics of thermodynamical cycles. Elements of turbine power plants. Fluid problems in turbomachinery. Theory of turbine stages. Turbine flow parts.
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Wydajność jako czynnik sukcesu przedsiębiorstwa wykorzystującego metodologię TOC na przykładzie zakładu produkującego beton komórkowy
PublicationAutorka pragnie skupić się na problemie wydajności i wykazać znaczenie narzędzi służących poprawie efektywności procesu produkcyjnego na przykładzie zakładu wytwarzającego beton komórkowy. Tezą postawioną w niniejszym referacie jest możliwość usprawnienia organizacji i logistyki produkcji poprzez wykorzystanie metody zarządzania, jaką jest Teoria Ograniczeń (ang. Theory of Constraints - TOC).
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The 41Σ+ electronic state of LiCs molecule
PublicationThe 41Σ+ state of LiCs molecule is observed experimentally for the first time. The inverted perturbation approach (IPA) method is used to derive the potential energy curve of the state from the measured spectra. The experiment is accompanied by theoretical calculations of adiabatic potentials for excited states in LiCs including 41Σ+, performed with the MOLPRO program package. The irregular shape of the 41Σ+ state potential predicted...
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Bell-Type Inequalities from the Perspective of Non-Newtonian Calculus
PublicationA class of quantum probabilities is reformulated in terms of non-Newtonian calculus and projective arithmetic. The model generalizes spin-1/2 singlet state probabilities discussed in Czachor (Acta Physica Polonica:139 70–83, 2021) to arbitrary spins s. For s → ∞ the formalism reduces to ordinary arithmetic and calculus. Accordingly, the limit “non-Newtonian to Newtonian” becomes analogous to the classical limit of a quantum theory
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Application of nonmetallic frustrated cations in the activation of small molecules
PublicationThe concept of nonmetallic frustrated cations has been used in small molecule activation. The in situ generated ambiphilic phosphinoborinium cation activated phenyl isocyanate, diisopropylcarbodiimide, and acetonitrile under very mild conditions without any catalyst, yielding single-, double-, or mixed-activation products. Furthermore, the mechanisms of the reactions of the phosphinoborinium cation with small molecules were elucidated...
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Positive solutions of one-dimensional p-Laplacian boundary value problems for fourth-order differential equations with deviating arguments
PublicationPraca dotyczy istnienia dodatnich rozwiązań dla równań różniczkowych rzędu czwartego z warunkami brzegowymi z odchylonymi argumentami. Stosując twierdzenie o punkcie stałym dla stożków podano warunki dostateczne na istnienia takich rozwiązań.
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Graphs with equal domination and 2-distance domination numbers
PublicationW publikacji scharakteryzowane są wszystkie te drzewa i grafy jednocykliczne, w których liczba dominowania oraz liczba 2-dominowania na odległość są sobie równe.
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Non-quadratic quality criteria in parameter estimation of continuous-time models
PublicationW pracy wykorzystuje się procedury estymacji parametrycznej do identyfikacji modeli z czasem ciągłym. Rozważane algorytmy minimalizują wskaźnik jakości w postaci sumy lub całki wartości bezwzględnej błędu predykcji. Zastosowanie techniki zmiennych instrumentalnych umożliwia ponadto znaczące polepszenie dokładności ocen parametrów, a wprowadzony do w procedur estymacji mechanizm ważenia błędów predykcji pozwala identyfikować modele...
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On quasi-compact Markov nets
PublicationAnalizuje się strukturę ergodyczną netów Markowa. W szczególności podano charakteryzację ściśle ergodycznych minimalnych (L-R) netów markowskich na zwartej przestrzeni fazowej. Uzyskano warunki równoważne quasi-zwartości (L-R) netów Markowa, rozszerzając tzw. ergodyczne twierdzenie Lotz'a.
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Minimum vertex ranking spanning tree problem for chordal and proper interval graphs
PublicationW pracy rozważamy problem szukania, dla danego grafu prostego, drzewa spinającego, którego uporządkowana liczba chromatyczna jest minimalna. K.~Miyata i inni dowiedli w [Np-hardness proof and an approximation algorithm for the minimum vertex ranking spanning tree problem,Discrete Appl. Math. 154 (2006) 2402-2410], że odpowiedni problem decyzyjny jest NP-trudny już w przypadku pytania o istnienie uporządkowanego 4-pokolorowania....
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Squashed entanglement for multipartite states and entanglement measures based on the mixed convex roof
PublicationNew measures of multipartite entanglement are constructedbased on two definitions of multipartite information anddifferent methods of optimizing over extensions of the states. Oneis a generalization of the squashed entanglement where one takesthe mutual information of parties conditioned on the state's extensionand takes the infimum over such extensions. Additivity ofthe multipartite squashed entanglement is proved for both versionsof...
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Four-point boundary-value problems for differential-algebraic systems
PublicationBadane są czteropunktowe problemy brzegowe dla układów równań różniczkowo-algebraicznych. Stosując metodę iteracji monotonicznych, podano warunki dostateczne na istnienie rozwiązań (jednego lub ekstremalnych) takich problemów. Podano przykład ilustrujacy otrzymane wyniki teoretyczne.
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Relations between the domination parameters and the chromatic index of a graph
PublicationIn this paper we show bounds for the sum and the product of the domination parameters and the chromatic index of a graph. We alsopresent some families of graphs for which these bounds are achieved.
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Efficient list cost coloring of vertices and/or edges of bounded cyclicity graphs
PublicationW artykule rozważamy listowo-kosztowe kolorowanie wierzchołków i krawędzi grafu w modelu wierzchołkowym, krawędziowym, totalnym i pseudototalnym. Stosujemy programowanie dynamiczne w celu otrzymania algorytmów wielomianowych dla drzew. Następnie uogólniamy to podejście na dowolne grafy z ograniczonymi liczbami cyklomatycznymi i na ich multikolorowania.
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Total outer-connected domination in trees
PublicationW pracy przedstawiono dolne ograniczenie na liczbę dominowania totalnego zewnętrznie spójnego w grafach oraz scharakteryzowano wszystkie drzewa osiągające to ograniczenie.
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Nordhaus-Gaddum results for the weakly convex domination number of a graph
PublicationArtykuł dotyczy ograniczenia z góry i z dołu (ze względu na ilość wierzchołków) sumy i iloczynu liczb dominowania wypukłego grafu i jego dopełnienia.
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Convex universal fixers
PublicationPraca dotyczy dominowania wypukłego w grafach pryzmowych.
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublicationThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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Weakly connected domination subdivision numbers
PublicationLiczba podziału krawędzi dla dominowania słabo spójnego to najmniejsza liczba krawędzi jaką należy podzielić, aby wzrosła liczba dominowania słabo wypukłego. W pracy przedstawione są własności liczby podziału krawędzi dla dominowania słabo spójnego dla różnych grafów.
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Some remarks on the Euler ring U(G)
PublicationNiech G będzie zwartą grupą Liego i niech U(G) oznacza pierściń Eulera G skonstruoawany przez tom Diecka w [5,6]. Główny wynikpracy (Twierdzenie 4.1) opisuje homomorfizm pierścienia U(SO(3)) w pierścień U(SO(2))indukowany przez włożenie grupy SO(2) w grupę SO(3).
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Low-dimensional bound entanglement with one-way distillable cryptographic key
PublicationIn this paper, we provide a class of bound entangled states that have positive distillable secure key rate. The smallest state of this kind is 4 circle times 4, which shows that peculiar security contained in bound entangled states does not need high-dimensional systems. We show that for these states a positive key rate can be obtained by one-way Devetak-Winter (DW) protocol. Subsequently, the volume of bound entangled key-distillable...
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Quantum key distribution based on private states: Unconditional security over untrusted channels with zero quantum capacity
PublicationIn this paper, we prove unconditional security for a quantum key distribution (QKD) protocol based on distilling pbits (twisted ebits) from an arbitrary untrusted state that is claimed to contain distillable key. Our main result is that we can verify security using only public communication-via parameter estimation of the given untrusted state. The technique applies even to bound-entangled states, thus extending QKD to the regime...
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Multiple solutions of boundary-value problems for fourth-order differential equations with deviating arguments
PublicationPraca dotyczy równań różniczkowych rzędu czwartego z warunkami brzegowymi i odchylonymi argumentami. Podano wystarczające warunki, dla których problemy dotyczące takich równań mają dodatnie rozwiązania. W pracy rozważa się przypadki kiedy argumenty odchylone są typu opóźnionego lub wyprzedzonego. W celu zapewnienia istnienia przynajmniej trzech dodatnich rozwiązań wykorzystano twierdzenie Avery-Petersona.
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A few steps more towards NPT bound entanglement
PublicationIn this paper, existence of bound entangled states with nonpositive partial transpose (NPT) is considered. As one knows, existence of such states would in particular imply nonadditivity of distillable entanglement. Moreover, it would rule out a simple mathematical description of the set of distillable states. The particular state, known to be 1-copy nondistillable and supposed to be bound entangled, is considered. The problem of...
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The complexity of node blocking for dags
PublicationRozważamy następującą grę (pomiędzy dwoma graczami) kombinatoryczną o nazwie ''node blocking''. Dany jest graf skierowany. Każdy wierzchołek może być zajęty przez co najwyżej jeden token. Wyróżniamy dwa kolory tokenów, biały i czarny, każdy gracz może przemieszczać tylko własne tokeny. Gracze wykonują ruchy naprzemiennie. Ruch polega na wyborze dowolnego tokena własnego koloru i przesunięciu go na dowolnego niezajętego przez inny...
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Parity vertex colouring of graphs
PublicationA parity path in a vertex colouring of a graph is a path along which each colour is used an even number of times. Let Xp(G) be the least number of colours in a proper vertex colouring of G having no parity path. It is proved that for any graph G we have the following tight bounds X(G) <= Xp(G) <=|V(G)|− a(G)+1, where X(G) and a(G) are the chromatic number and the independence number of G, respectively. The bounds are improved for...
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Efficient list cost coloring of vertices and/or edges of bounded cyclicity graphs
Publication