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Search results for: HIRSHFELD SURFACE
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APPLIED SURFACE SCIENCE
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Manifestation of Intermolecular Interactions in the IR Spectra of 2- and 4-Methylmethcathinones Hydrochlorides: DFT Study and Hirshfeld Surfaces Analysis
PublicationThis paper reports a Hirshfeld surfaces analysis of crystalline 2- and 4-methylmethcathinone (2-MMC and 4-MMC) hydrochlorides to analyze NH∙Cl and CH∙∙∙Cl intermolecular interactions and approve the formation of the NН2+–Cl– salt fragment in both 2-MMC∙HCl and 4-MMC∙HCl crystals. Two isomeric dimers were separated from the corresponding crystal packing to model IR spectra of the crystalline 2-MMC∙HCl...
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SURFACE & COATINGS TECHNOLOGY
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Novel 1,2,3-Triazole Derivatives as Mimics of Steroidal System—Synthesis, Crystal Structures Determination, Hirshfeld Surfaces Analysis and Molecular Docking
PublicationHerein, we present the synthesis and crystal structures determination of five 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives containing halogen atoms, 6a–e, which may be used as an excellent mimic of steroids in the drug development process. Good quality crystals obtained for all of the synthesized compounds allowed the analysis of their molecular structures. Subsequently, the determined crystal structures were used to calculate...
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Cooperativity of Halogen- and Chalcogen-Bonding Interactions in the Self-Assembly of 4‑Iodoethynyl- and 4,7-Bis(iodoethynyl)benzo-2,1,3-chalcogenadiazoles: Crystal Structures, Hirshfeld Surface Analyses, and Crystal Lattice Energy Calculations
PublicationSeveral new 4-iodoethynyl- and 4,7-bis- (iodoethynyl)benzo-2,1,3-chalcogenadiazoles were prepared, and a comprehensive analysis of the most prominent secondary bonding interactions responsible for the crystal self-assembly was performed using X-ray diffraction. The presence of both the iodoethynyl and chalcogenadiazole moieties allows an evaluation of the preference of these molecules to aggregate through either chalcogen- or halogen-bonding...
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Surface Innovations
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Ocular Surface
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Surface Technology
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Surfaces
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
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Surface-Step-Induced Magnetic Anisotropy in Epitaxial LSMO Deposited on Engineered STO Surfaces
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Visible-light-induced photocatalysis through surface Plasmon excitation of gold on titania surfaces
PublicationPietnascie komercyjnych probek tlenku tytanu(IV) zostalo zmodyfikowanych zlotem za pomoca fotodepozycji oraz scharakteryzowanych. Fotoaktywnosci proszkow Au/TiO2 zostaly przebadane dla fotodegradacji kwasu octowego i 2-propanolu podczas naswietlania promieniowaniem widzialnym oraz ultrafioletowym. Wykazano, ze fotokatalityczne aktywnosci scisle zaleza od wlasciwosci nanoczastek zlota i tlenku tytanu. Analizy spektrum działania...
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SURFACE SCIENCE
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China Surface Engineering
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Earth Surface Dynamics
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PLATING AND SURFACE FINISHING
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Surface Science Spectra
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PROGRESS IN SURFACE SCIENCE
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Near Surface Geophysics
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SURFACE AND INTERFACE ANALYSIS
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SURFACE COATINGS INTERNATIONAL
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SURFACE SCIENCE REPORTS
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SURFACE REVIEW AND LETTERS
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COLLOIDS AND SURFACES B-BIOINTERFACES
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Transverse surface waves on a cylindrical surface with coating
PublicationWe discuss the propagation of transverse surface waves that are so-called whispering-gallery waves along a surface of an elastic cylinder with coating. The coating is modelled in the framework of linearized Gurtin–Murdoch surface elasticity. Other interpretations of the surface shear modulus are given and relations to so-called stiff interface and stiff skin model are discussed. The dispersion relations are obtained and analyzed.
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STUDIES IN SURFACE SCIENCE AND CATALYSIS
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JOURNAL OF SURFACE SCIENCE AND TECHNOLOGY
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World of Mining - Surface and Underground
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Applied Surface Science Advances
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SURFACE ENGINEERING AND APPLIED ELECTROCHEMISTRY
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SOLDERING & SURFACE MOUNT TECHNOLOGY
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SURFACE ENGINEERING
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Strongly anisotropic surface elasticity and antiplane surface waves
PublicationWithin the new model of surface elasticity, the propagation of anti-plane surface waves is discussed. For the proposed model, the surface strain energy depends on surface stretching and on changing of curvature along a preferred direction. From the continuum mechanics point of view, the model describes finite deformations of an elastic solid with an elastic membrane attached on its boundary reinforced by a family of aligned elastic...
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Surface finite viscoelasticity and surface anti-plane waves
PublicationWe introduce the surface viscoelasticity under finite deformations. The theory is straightforward generalization of the Gurtin–Murdoch model to materials with fading memory. Surface viscoelasticity may reflect some surface related creep/stress relaxation phenomena observed at small scales. Discussed model could also describe thin inelastic coatings or thin interfacial layers. The constitutive equations for surface stresses are...
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Surface sliding in human abdominal wall numerical models: Comparison of single-surface and multi-surface composites
PublicationDetermining mechanical properties of abdominal soft tissues requires a coupled experimental-numerical study, but first an appropriate numerical model needs to be built. Precise modeling of human abdominal wall mechanics is difficult because of its complicated multi-layer composition and large variation between specimens. There are several approaches concerning simplification of numerical models, but it is unclear how far one could...
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Surface and interfacial anti-plane waves in micropolar solids with surface energy
PublicationIn this work, the propagation behaviour of a surface wave in a micropolar elastic half-space with surface strain and kinetic energies localized at the surface and the propagation behaviour of an interfacial anti-plane wave between two micropolar elastic half-spaces with interfacial strain and kinetic energies localized at the interface have been studied. The Gurtin–Murdoch model has been adopted for surface and interfacial elasticity....
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JOURNAL OF GEOPHYSICAL RESEARCH-EARTH SURFACE
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e-Journal of Surface Science and Nanotechnology
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SMT Surface Mount Technology Magazine
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International Journal of Surface Science and Engineering
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Comparison of anti-plane surface waves in strain-gradient materials and materials with surface stresses
PublicationHere we discuss the similarities and differences in anti-plane surface wave propagation in an elastic half-space within the framework of the theories of Gurtin–Murdoch surface elasticity and Toupin–Mindlin strain-gradient elasticity. The qualitative behaviour of the dispersion curves and the decay of the obtained solutions are quite similar. On the other hand, we show that the solutions relating to the surface elasticity model...
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On Anti-Plane Surface Waves Considering Highly Anisotropic Surface Elasticity Constitutive Relations
PublicationWithin the framework of highly anisotropic surface elasticity model we discuss the propagation of new type of surface waves that are anti-plane surface waves. By the highly anisotropic surface elasticity model we mean the model with a surface strain energy density which depends on incomplete set of second derivatives of displacements. From the physical point of view this model corresponds to a coating made of a family of parallel...
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Anti-plane surface waves in media with surface structure: Discrete vs. continuum model
PublicationWe present a comparison of the dispersion relations derived for anti-plane surface waves using the two distinct approaches of the surface elasticity vis-a-vis the lattice dynamics. We consider an elastic half-space with surface stresses described within the Gurtin–Murdoch model, and present a formulation of its discrete counterpart that is a square lattice half-plane with surface row of particles having mass and elastic bonds different...
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Surface Treatment of Rubber Waste
PublicationThis chapter deals with the study of different approaches to improve the compatibility of waste rubber with polymeric matrixes of high density polyethylene (HDPE) by using surface treatments to increase adhesion. Different surface treatments such as etching with sulphuric and nitric acids, the use of a silane as a coupling agent and chlorination with trichloroisocyanuric acid (TCI) have been applied. The modification of waste rubber...
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Phonons at the Fe(110) Surface
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The surface photoconductivity in molecular layers
PublicationW pracy przedstawiono rezultaty analizy fotoprądów powierzchniowych w cienkich warstwach tetracenu i pentacenu. W szczególności badano wpływ obecności defektów strukturalnych w warstwach na charakterystyki fotoprądów i transport nośników ładunku.
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Spikes removal in surface measurement
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Smoothing of wood surface by burnishing
PublicationW artykule zaprezentowano rozwój bezwiórowych metod obróbki wykańczającej drewna. Przedstawiono wpływ nagniatania ślizgowego na chropowatość powierzchni drewna. Badania przeprowadzono na próbkach wykonanych z drzewa sosnowego toczonych i nagniatanych ślizgowo. Nagniatanie ślizgowe przeprowadzono z wykorzystaniem nagniataka elastycznego o elemencie ślizgowym wykonanym z Karbonado. Wyniki odniesiono do głównych parametrów nagniatania...
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Dynamics of surface floating objects
PublicationPrezentowana praca stanowi wstępne rozeznanie w dziedzinie badań dynamiki konstrukcji pływających z zastosowaniem teorii procesu dyfuzji. W pracy rozpatrywane są modele fizyczne jednostek wielokadłubowych oraz modele matematyczne. Spośród modeli jednostek wielokadłubowych wyróżnia się modele deterministyczne oraz modele stochastyczne.
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Surface properties of barley straw
PublicationWłaściwości powierzchniowe słomy jęczmiennej (Hordeum vulgare) odgrywają kluczową rolę w zastosowaniach przemysłowych, takich jak sorpcja rozlewów olejowych oraz oczyszczenie gleby. Zbadano niejednorodność chemiczną oraz morfologiczną liści i łodyg słomy jęczmiennej poprzez pomiar kątów zwilżania wodą oraz olejem oraz z zastosowaniem techniki FTIR, SEM oraz AFM.