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Proton affinities of simple organic compounds
PublicationThe Restricted Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets has been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for small neutral and protonated alkanes, alcohols, acetic acid, methyl and ethyl acetate, acetone, and acetaldehyde. Calculated values of proton affinities are compared with experimental data.
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On trees with double domination number equal to 2-outer-independent domination number plus one
PublicationA vertex of a graph is said to dominate itself and all of its neighbors. A double dominating set of a graph G is a set D of vertices of G such that every vertex of G is dominated by at least two vertices of D. The double domination number of a graph G is the minimum cardinality of a double dominating set of G. For a graph G=(V,E), a subset D subseteq V(G) is a 2-dominating set if every vertex of V(G)D has at least two neighbors...
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Marek Kowalewski dr
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Unicyclic graphs with equal total and total outer-connected domination numbers
PublicationLet G = (V,E) be a graph without an isolated vertex. A set D ⊆ V (G) is a total dominating set if D is dominating and the in- duced subgraph G[D] does not contain an isolated vertex. The total domination number of G is the minimum cardinality of a total domi- nating set of G. A set D ⊆ V (G) is a total outer–connected dominating set if D is total dominating and the induced subgraph G[V (G)−D] is a connected graph. The total outer–connected...
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Obrony prac doktorskich na Wydziale Chemicznym
EventsDn. 04.11.2022 r. o godz. 11.00 w Audytorium 1.4 Wydziału Chemicznego PG (budynek nr 5) odbędzie się w trybie hybrydowym obrona pracy doktorskiej mgr. inż. Karola Biernackiego.
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Total Domination Versus Domination in Cubic Graphs
PublicationA dominating set in a graph G is a set S of vertices of G such that every vertex not in S has a neighbor in S. Further, if every vertex of G has a neighbor in S, then S is a total dominating set of G. The domination number,γ(G), and total domination number, γ_t(G), are the minimum cardinalities of a dominating set and total dominating set, respectively, in G. The upper domination number, \Gamma(G), and the upper total domination...
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Magdalena Szuflita-Żurawska
PeopleHead of the Scientific and Technical Information Services at the Gdansk University of Technology Library and the Leader of the Open Science Competence Center. She is also a Plenipotentiary of the Rector of the Gdańsk University of Technology for open science. She is a PhD Candidate. Her main areas of research and interests include research productivity, motivation, management of HEs, Open Access, Open Research Data, information...
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On trees with double domination number equal to total domination number plus one
PublicationA total dominating set of a graph G is a set D of vertices of G such that every vertex of G has a neighbor in D. A vertex of a graph is said to dominate itself and all of its neighbors. A double dominating set of a graph G is a set D of vertices of G such that every vertex of G is dominated by at least two vertices of D. The total (double, respectively) domination number of a graph G is the minimum cardinality of a total (double,...
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Keratinocyte-derived small extracellular vesicles supply antigens for CD1a-resticted T cells and promote their type 2 bias in the context of filaggrin insufficiency
PublicationIntroduction: Exosome-enriched small extracellular vesicles (sEVs) are nanosized organelles known to participate in long distance communication between cells, including in the skin. Atopic dermatitis (AD) is a chronic inflammatory skin disease for which filaggrin (FLG) gene mutations are the strongest genetic risk factor. Filaggrin insufficiency affects multiple cellular function, but it is unclear if sEV-mediated cellular communication...
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Hybrid no-signaling-quantum correlations
PublicationFundamental investigations in non-locality have shown that while the no-signaling principle alone is not sufficient to single out the set of quantum non-local correlations, local quantum mechanics and no-signaling together exactly reproduce the set of quantum correlations in the two-party Bell scenario. Here, we introduce and study an intermediate hybrid no-signaling quantum set of non-local correlations that we term HNSQ in the...
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Usefulness of Keystroke Dynamics Features in User Authentication and Emotion Recognition
PublicationThe study presented in the article focuses on keystroke dynamics analysis applied to recognize emotional states and to authenticate users. An overview of some studies and applications in these areas is presented. Then, an experiment is described, i.e. the way of collecting data, extracting features, training classifiers and finding out the most appropriate feature subsets. The results show that it is difficult to indicate a universal...
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Using creative approaches for discovering biomorphic forms for appropriate human habitation in natural environments. Case study of Kashubian Lake District
PublicationThe research process consisted of studies of natural and cultural conditions of the Kashubian Lake District This is an area of exceptional natural conditions. For centuries, it has seen human habitation with respect to landscape values. Given its extensive forest cover and the lack of heterogeneity of natural conditions, the area has become an interesting inspiration for the author’s original project. The project is aimed at searching...
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DEPO: A dynamic energy‐performance optimizer tool for automatic power capping for energy efficient high‐performance computing
PublicationIn the article we propose an automatic power capping software tool DEPO that allows one to perform runtime optimization of performance and energy related metrics. For an assumed application model with an initialization phase followed by a running phase with uniform compute and memory intensity, the tool performs automatic tuning engaging one of the two exploration algorithms—linear search (LS) and golden section search (GSS), finds...
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On Fast Multi-objective Optimization of Antenna Structures Using Pareto Front Triangulation and Inverse Surrogates
PublicationDesign of contemporary antenna systems is a challenging endeavor, where conceptual developments and initial parametric studies, interleaved with topology evolution, are followed by a meticulous adjustment of the structure dimensions. The latter is necessary to boost the antenna performance as much as possible, and often requires handling several and often conflicting objectives, pertinent to both electrical and field properties...
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Development of cluster analysis methodology for identification of model rainfall hyetographs and its application at an urban precipitation field scale
PublicationDespite growing access to precipitation time series records at a high temporal scale, in hydrology, and particularly urban hydrology, engineers still design and model drainage systems using scenarios of rainfall temporal distributions predefined by means of model hyetographs. This creates the need for the availability of credible statistical methods for the development and verification of already locally applied model hyetographs....
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Recent progress in the development of steroid sulfatase inhibitors – examples of the novel and most promising compounds from the last decade
PublicationThe purpose of this review article is to provide an overview of recent achievements in the synthesis of novel steroid sulfatase (STS) inhibitors. STS is a crucial enzyme in the biosynthesis of active hormones (including estrogens and androgens) and, therefore, represents an extremely attractive molecular target for the development of hormone-dependent cancer therapies. The inhibition of STS may effectively reduce the availability...
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Two-phase water-air flow measurement using gamma-ray absorption technique – plug flow
Open Research DataThe attached datasets contains the measurement results of the air-water flow in a horizontal pipeline. Flow type: plug flow. The data shows the pulse counts of the two radiometric sets. Each of these kits consisted of a QSA Global Am-241 gamma ray source and a Tesla SKG-1 type NaI(Tl) scintillation probe. The pulses were recorded using a dedicated EC...
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Two-phase water-air flow measurement using gamma-ray absorption technique – slug flow
Open Research DataThe attached datasets contains the measurement results of the air-water flow in a horizontal pipeline. Flow type: slug flow. The data shows the pulse counts of the two radiometric sets. Each of these kits consisted of a QSA Global Am-241 gamma ray source and a Tesla SKG-1 type NaI(Tl) scintillation probe. The pulses were recorded using a dedicated EC...
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Two-phase water-air flow measurement using gamma-ray absorption technique –bubble flow
Open Research DataThe attached datasets contains the measurement results of the air-water flow in a horizontal pipeline. Flow type: bubble flow. The data shows the pulse counts of the two radiometric sets. Each of these kits consisted of a QSA Global Am-241 gamma ray source and a Tesla SKG-1 type NaI(Tl) scintillation probe. The pulses were recorded using a dedicated...
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Two-phase water-air flow measurement using gamma-ray absorption technique – transitional plug – bubble flow
Open Research DataThe attached datasets contains the measurement results of the air-water flow in a horizontal pipeline. Flow type: transitional plug – bubble flow. The data shows the pulse counts of the two radiometric sets. Each of these kits consisted of a QSA Global Am-241 gamma ray source and a Tesla SKG-1 type NaI(Tl) scintillation probe. The pulses were recorded...
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Stochastic intervals for the family of quadratic maps
Open Research DataNumerical analysis of chaotic dynamics is a challenging task. The one-parameter families of logistic maps and closely related quadratic maps f_a(x)=a-x^2 are well-known examples of such dynamical systems. Determining parameter values that yield stochastic-like dynamics is especially difficult, because although this set has positive Lebesgue measure,...
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Force-deformation spectroscopy in contact mode
Open Research DataThe deformation-distance spectroscopic curve is obtained by registering the value of the probe cantilever deflection as a function of the elongation of the piezoelectric scanner. It assumes a simple relationship in the form of Hooke’s law, linking the deformation of the lever with the amount of its deflection caused by the proximity of the probe and...
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Fingerprint structure studies with semi-contact AFM
Open Research DataThe work [1] presents many, sometimes even surprising examples of the use of atomic force microscopy in modern forensics. Some of them are projectile tests using the characteristic scratch patterns created by the firing pin on the primer. There are more and more suggestions in the literature for the use of atomic force microscopy in dactyloscopy [2]....
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The convex domination subdivision number of a graph
PublicationLet G = (V;E) be a simple graph. A set D\subset V is a dominating set of G if every vertex in V - D has at least one neighbor in D. The distance d_G(u, v) between two vertices u and v is the length of a shortest (u, v)-path in G. An (u, v)-path of length d_G(u; v) is called an (u, v)-geodesic. A set X\subset V is convex in G if vertices from all (a, b)-geodesics belong to X for any two vertices a, b \in X. A set X is a convex dominating...
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Ionogel sorbent coatings for determining organophosphorus and pyrethroid insecticides in water and fresh juice samples by headspace-solid phase microextraction
PublicationThe sol–gel method yielded three different ionogel sorbent coatings that were obtained based on a silica material containing ionic liquids (ILs) immobilized in its pores. Two ILs, triethylsulfonium bis(trifluoromethylsulfonyl) imide [Set3][TFSI] and 1-butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide [C4C1Pip][TFSI], as well as their equimolar mixture [Set3/C4C1Pip], were used to obtain ionogel fibers. The developed...
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Synthesis and biological evaluation of thiophosphate tricyclic coumarin derivatives as steroid sulfatase inhibitors
PublicationSteroid sulfatase (STS) enzyme inhibition is an important approach to the management of hormone-dependent breast cancer. In this paper, we report convenient methods for the synthesis and biological evaluation of thiophosphate tricyclic coumarin analogs exhibiting STS activity. The described methods are based on the straightforward preparation of 7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-2-one, 3-hydroxy- 7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one,...
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Rearrangements of the nitrifiers population in an activated sludge system under decreasing solids retention times
PublicationDue to the key role of nitrite in novel nitrogen removal systems, nitrite oxidizing bacteria (NOB) have been receiving increasing attention. In this study, the coexistence and interactions of nitrifying bacteria were explored at decreasing solids retention times (SRTs). Four 5-week washout experiments were carried out in laboratory-scale (V=10 L) sequencing batch reactors (SBRs) with mixed liquor from two full-scale activated sludge...
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Does the carbon emissions trading system reduce carbon emissions by promoting two-way FDI in developing countries? Evidence from Chinese listed companies and cities
PublicationHow developing countries can effectively promote cities’ carbon emission reduction through the carbon emission trading system (ETS) is a topic worthy of attention in the global carbon reduction campaign. Policy changes in China's ETS provide a unique opportunity to measure whether ETS impacts carbon emissions through two-way FDI. Hence, this paper employs difference-in-differences (DID) method to test the causal impact of ETS...
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Equitable coloring of hypergraphs
PublicationA hypergraph is equitablyk-colorable if its vertices can be partitioned into k sets/colorclasses in such a way that monochromatic edges are avoided and the number of verticesin any two color classes differs by at most one. We prove that the problem of equitable 2-coloring of hypergraphs is NP-complete even for 3-uniform hyperstars. Finally, we apply the method of dynamic programming for designing a polynomial-time algorithm to...
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On trees with equal 2-domination and 2-outer-independent domination numbers
PublicationFor a graph G = (V,E), a subset D \subseteq V(G) is a 2-dominating set if every vertex of V(G)\D$ has at least two neighbors in D, while it is a 2-outer-independent dominating set if additionally the set V(G)\D is independent. The 2-domination (2-outer-independent domination, respectively) number of G, is the minimum cardinality of a 2-dominating (2-outer-independent dominating, respectively) set of G. We characterize all trees...
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A lower bound on the total outer-independent domination number of a tree
PublicationA total outer-independent dominating set of a graph G is a set D of vertices of G such that every vertex of G has a neighbor in D, and the set V(G)D is independent. The total outer-independent domination number of a graph G, denoted by gamma_t^{oi}(G), is the minimum cardinality of a total outer-independent dominating set of G. We prove that for every nontrivial tree T of order n with l leaves we have gamma_t^{oi}(T) >= (2n-2l+2)/3,...
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On trees with equal domination and total outer-independent domination numbers
PublicationFor a graph G=(V,E), a subset D subseteq V(G) is a dominating set if every vertex of V(G)D has a neighbor in D, while it is a total outer-independent dominating set if every vertex of G has a neighbor in D, and the set V(G)D is independent. The domination (total outer-independent domination, respectively) number of G is the minimum cardinality of a dominating (total outer-independent dominating, respectively) set of G. We characterize...
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Equivalence scales based on stochastic indifference criterion : the case of Poland
PublicationArtykuł przedstawia koncepcję stochastycznych skał ekwiwalentności (SES), która bazuje na kryterium stochastycznej indyferencji. SES jest dowolną funkcją, która transformuje rozkład wydatków określonej grupy gospodarstw domowych w taki sposób, że wynikowy rozkład jest stochastycznie indyferentny wobec rozkładu wydatków grupy gospodarstw odniesienia. Kryterium stochastycznej indyferencji jest także wykorzystane dla opracowania metody...
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Graphs with equal domination and certified domination numbers
PublicationA setDof vertices of a graphG= (VG,EG) is a dominating set ofGif every vertexinVG−Dis adjacent to at least one vertex inD. The domination number (upper dominationnumber, respectively) ofG, denoted byγ(G) (Γ(G), respectively), is the cardinality ofa smallest (largest minimal, respectively) dominating set ofG. A subsetD⊆VGis calleda certified dominating set ofGifDis a dominating set ofGand every vertex inDhas eitherzero...
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An upper bound on the 2-outer-independent domination number of a tree
PublicationA 2-outer-independent dominating set of a graph G is a set D of vertices of G such that every vertex of V(G)D has a at least two neighbors in D, and the set V(G)D is independent. The 2-outer-independent domination number of a graph G, denoted by gamma_2^{oi}(G), is the minimum cardinality of a 2-outer-independent dominating set of G. We prove that for every nontrivial tree T of order n with l leaves we have gamma_2^{oi}(T) <= (n+l)/2,...
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How much a geometrical model of a honeycomb seal can be simpli ed in the CFD calculation
PublicationThis paper presents the inuence of geometry simplication on the results obtained in the computational fluid dynamics simulation. The subject of simulation was part of the honeycomb seal located at the inlet to high pressure part of a steam turbine. There were three different geometrical models assumed in the calculations. First one was two-dimensional case and two others were three dimensional, one with the radius of curvature...
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ANALYSIS OF IMPACT of SHIP model parameters on changes of control quality index in ship dynamic positioning system
PublicationIn this work there is presented an analysis of impact of ship model parameters on changes of control quality index in a ship dynamic positioning system designed with the use of a backstepping adaptive controller. Assessment of the impact of ship model parameters was performed on the basis of Pareto-Lorentz curves and ABC method in order to determine sets of the parameters which have either crucial, moderate or low impact on objective...
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Early Oceanographical Data Collected by the Institute of Oceanography, University of Gdańsk
PublicationThree data sets entitled Water currents in Głębinka Passage in late spring of 1975, Hydrometeorological and hydrochemical conditions in the Gulf of Gdańsk in the vicinity of Vistula river mouth in July of 1977, and Gulf of Gdańsk monitoring conducted by the Institute of Oceanography, University of Gdańsk, in 1981–1994 contain archival field measurement results from the Gulf of Gdańsk (the southern Baltic). The data can be used...
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Digital technologies and women's empowerment – casting the bridges
PublicationThis work briefly discusses the nexuses between digital technology development and adoption across societies, and its potential impact on overall welfare through women’s economic empowerment. In the first section it sets out the context and background. Next, Section 2 demonstrates the state of access to and the use of digital technologies across the world. Section 3 intends to trace the causal links and channels of digital technologies'...
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An upper bound on the total outer-independent domination number of a tree
PublicationA total outer-independent dominating set of a graph G=(V(G),E(G)) is a set D of vertices of G such that every vertex of G has a neighbor in D, and the set V(G)D is independent. The total outer-independent domination number of a graph G, denoted by gamma_t^{oi}(G), is the minimum cardinality of a total outer-independent dominating set of G. We prove that for every tree T of order n >= 4, with l leaves and s support vertices we have...
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Adaptive Hyperparameter Tuning within Neural Network-based Efficient Global Optimization
PublicationIn this paper, adaptive hyperparameter optimization (HPO) strategies within the efficient global optimization (EGO) with neural network (NN)-based prediction and uncertainty (EGONN) algorithm are proposed. These strategies utilize Bayesian optimization and multiarmed bandit optimization to tune HPs during the sequential sampling process either every iteration (HPO-1itr) or every five iterations (HPO-5itr). Through experiments using...
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An upper bound for the double outer-independent domination number of a tree
PublicationA vertex of a graph is said to dominate itself and all of its neighbors. A double outer-independent dominating set of a graph G is a set D of vertices of G such that every vertex of G is dominated by at least two vertices of D, and the set V(G)\D is independent. The double outer-independent domination number of a graph G, denoted by γ_d^{oi}(G), is the minimum cardinality of a double outer-independent dominating set of G. We prove...
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2-outer-independent domination in graphs
PublicationWe initiate the study of 2-outer-independent domination in graphs. A 2-outer-independent dominating set of a graph G is a set D of vertices of G such that every vertex of V(G)\D has at least two neighbors in D, and the set V(G)\D is independent. The 2-outer-independent domination number of a graph G is the minimum cardinality of a 2-outer-independent dominating set of G. We show that if a graph has minimum degree at least two,...
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Technological vs. Non-Technological Mindsets: Learning From Mistakes, and Organizational Change Adaptability to Remote Work
PublicationThe permanent implementation of the change in working methods, e.g., working in the virtual space, is problematic for some employees and, as a result, for management leaders. To explore this issue deeper, this study assumes that mindset type: technological vs. non-technological, may influence the organizational adaptability to change. Moreover, the key interest of this research is how non-technological mindsets...
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Fitting the mobile device characteristics to the user's hearing preferences
PublicationA method for fitting the mobile computer audio characteristics to the user's hearing preferences is proposed. The process consists of two stages: calibration and dynamics processing. During the calibration phase the user performs a loudness scaling test giving their response regarding the perceived loudness. The dynamics processing made on above basis sets the loudness to the most comfortable level. The processing accounts both...
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Implementing second-order CFA model for the factorial validity of brand equity
PublicationThe purpose of this study was to test the implementation of a second-order CFA model for the factorial validity of Aaker’s consumer-based brand equity framework. To test the proposed theoretical model 186 data sets generated through a standardized onlinesurvey were evaluated. The data wasanalyzedusing structural equation modeling with AMOS 21.0 software. The results demonstrated that the higher order CFA model for consumer-based...
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Improvement of Imperfect String Matching Based on Asymetric n-Grams
PublicationTypical approaches to string comparing treats them as either different or identical without taking into account the possibility of misspelling of the word. In this article we present an approach we used for improvement of imperfect string matching that allows one to reconstruct potential string distortions. The proposed method increases the quality of imperfect string matching, allowing the lookup of misspelled words without significant...
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A wireless network for off-shore marine research
PublicationThis paper presents functionality, the most important technology developments and potential use cases of digital communication system, developed to facilitate selected tasks commonly required during off-shore operations and marine research, including: broadband information sharing between platforms isolated from an on-shore communication infrastructure, acquisition of large data-sets from variety of off-shore...
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Weakly convex domination subdivision number of a graph
PublicationA set X is weakly convex in G if for any two vertices a; b \in X there exists an ab–geodesic such that all of its vertices belong to X. A set X \subset V is a weakly convex dominating set if X is weakly convex and dominating. The weakly convex domination number \gamma_wcon(G) of a graph G equals the minimum cardinality of a weakly convex dominating set in G. The weakly convex domination subdivision number sd_wcon (G) is the minimum...
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Amplitude-distance spectroscopy in semi-contact mode
Open Research DataSince it was invented by Binnig et al. in 1986, atomic force microscopy (AFM) plays a key role in science and technology at the nanoscale. AFM is a microscopic technique that visualizes the surface topography using the attractive and repulsive forces of interaction between several atoms (in theory) of a blade attached to the end of the probe lever and...