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Search results for: pascal's theorem
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Ab initio and density functional theory calculations of proton affinities for volatile organic compounds
PublicationThe Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets and the density function theory-B3LYP have been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for volatile organic compounds. Calculated values of proton affinities are compared with experimental data.
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Mixed 4-node shell element with assumed strain and stress in 6-parameter theory
PublicationWe propose a mixed hybrid 4-node shell elements based on Hu-Washizu principle. Apart from displacements both strains and stress fields are treated as independent fields. The element is derived in the framework of a general nonlinear 6-field shell theory with drilling rotation which is dedicated to the analysis of multifold irregular shells with intersections. The novelty of the presented results stems from the fact that the measures...
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Structural response of existing spatial truss roof construction based on Cosserat rod theory
PublicationPaper presents the application of the Cosserat rod theory and newly developed associated finite elements code as the tools that support in the expert-designing engineering practice. Mechanical principles of the 3D spatially curved rods, dynamics (statics) laws, principle of virtual work are discussed. Corresponding FEM approach with interpolation and accumulation techniques of state variables are shown that enable the formulation...
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Relativistic theory of photoionization of one electron systems: an eigen channel R-matrix approach.
PublicationPrzedstawiono zastosowanie metody kanałów własnych R-macierzy do opisu procesu fotojonizacji relatywistycznych układów jednoelektronowych.
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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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Theoria et Historia Scientiarum
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Zeitschrift für kritische Theorie
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Analyses/Rereadings/Theories Journal
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JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
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Rec.: Robert Bielecki. Finnish Case Grammar (From the Syntactic and Semantic Perspectives). Poznań: Wydawnictwo Naukowe Uniwersytetu im. Adama Mickiewicza, 2015, 290 s.
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Nowe makrocykliczne chromojonofory, synteza i charakterystyka oddziaływań z kationami.**2002, 104 s. 77 rys. 13 tab. bibliogr. 129 poz. maszyn.
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Graphitic carbon nitride nanosheets decorated with HAp@Bi2S3 core–shell nanorods: Dual S-scheme 1D/2D heterojunction for environmental and hydrogen production solutions
PublicationBy combining different semiconductors, scientists have developed innovative materials capable of converting solar energy into useful forms of energy or driving chemical reactions that clean up pollutants. These materials offer a promising path to combat global environmental and energy challenges. In this study, HAp@Bi2S3 core–shell structures were synthesized using a facile microemulsion technique, and then loaded onto graphitic...
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Ekspertyza konstrukcji i stanu technicznego napędu rollera rejowego, napędu rollera sztagowego oraz wózka fałowego na sztag s/y "Running on Waves"
PublicationCelem ekspertyzy było ustalenie przyczyn nieprawidłowej pracy urządzeń rejowych i wciągarek. Omówiono błędy projektowe i wykonawcze oraz wskazano przyczyny awarii. Sformułowano wnioski dotyczące kierunków modernizacji konstrukcji.
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(CsX)Cu5O2(PO4)2 (X = Cl, Br, I): A Family of Cu2+ S = 1/2 Compounds with Capped-Kagomé Networks Composed of OCu4 Units
PublicationThree new salt inclusion compounds (CsX)Cu5O2(PO4)2 (X = Cl, Br, I), phosphate analogues of the kagomé mineral averievite, are reported. Their crystal structures are composed of trigonal networks of corner-sharing OCu4 anion-centered tetrahedra, forming capped-kagomé planes, which can also be regarded as two-dimensional slices along the [111] direction of a pyrochlore lattice. Magnetization and heat capacity measurements reveal...
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Spółki osobowe. W: Prawo przedsiębiorcy. Pod red. E. Grzegorzewska-Mischka.Gdańsk: Scientyfic Publishing Group **2003 s. 29-48 bibliogr. 10 poz. .
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New examples of N^(+)-H···^(-)S hydrogen bonds: Synthesis and X-ray study of selected secondary ammonium tri-tert-butoxysilanethiolates
PublicationTri-tert-butoksysilanotiol reagując z aminami drugorzędowymi: Et2NH, morfoliną, dicykloheksyloaminą i 2,2,4,4-tetrametylopiperydyną daje odpowiednie sole amoniowe. Jak wykazują rentgenowskie badania strukturalne wszystkie te związki tworzą w ciele stałym jednostki dimeryczne {RS(-), R'NH2(+)}2, powiązane wiązaniami wodorowymi typu: N(+)-H···(-)S.
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Determination of changes in viscosity of pectin gel depending on shear rate (1.1 to 55 s-1).
Open Research DataThe rheological characteristic of pectin gel (with concetration 0,45% m/m, in three independent repetition of sample) was made on the basis of a viscosity measurement using a Brookfield viscometer, using LV SC4 - 25 spindle and shear rates from 1.1 to 55 s-1.The data allowed to characterize the used hydrogel preparations and assess their functional...
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The changes of outlet gases concentrations from SOFC with Ce(Pr,Sm)O2-s layers
Open Research DataThe dataset includes The changes of outlet gases concentrations from SOFC with Ce(Pr,Sm)O2-s layers. Samples were produced using aqueous soft chemistry methods (microemulsion method) and applied in form of a layer onto the anode of the commercial SOFC. The SOFC was working under biogas feeding.
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DLC coating doped with W in ring-on-ring sliding with water lubrication 20MPa/0.1m/s
Open Research DataWear tests in sliding friction of 1% W (tungsten) doped DLC coating on 1.4021 (EN 10088-1) heat treated stainless steel. Ring - on - ring contact in unidirectional sliding, DLC-W over DLC-W. Mean contact stress: 20MPa. Sliding velocity: 0,1 m/s. Mean friction radius: 9.5mm. Lubricant: WATER. Tribometer: PT-3. Overall test time >15h. The test was...
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DLC coating doped with W in ring-on-ring sliding with water lubrication 10MPa/0.1m/s
Open Research DataWear tests in sliding friction of 1% W (tungsten) doped DLC coating on 1.4021 (EN 10088-1) heat treated stainless steel. Ring - on - ring contact in unidirectional sliding, DLC-W over DLC-W. Mean contact stress: 10MPa. Sliding velocity: 0,1 m/s. Mean friction radius: 9.5mm. Lubricant: WATER. Tribometer: PT-3. Overall test time >15h. The test was...
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Determination of changes in viscosity of pectin gel depending on shear rate (1.7 to 85 s-1).
Open Research DataThe rheological characteristic of pectin gel (with concetration 0,25% m/m, in two independent repetitions) wasmade on the basis of a viscosity measurement using a Brookfield viscometer, using LV SC4 - 27 spindle and shear rates from 1.7 to 85 s-1, in temperature of 25 C degee .The data allowed to characterize the used hydrogel preparations and assess...
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Javed Ather Siddiqui DR.
PeopleI AM PSYCHATRIST,WANTS TO BRING SMILE ON THE FACES OF MENTALLY ILL PATIENTS. I LOVE MY PROFESSION AND WANT TO FACE CHALLENGES FOR SAKE OF THE PATIENTS. I EARNED POST GRADUATE DEGREE FROM MUMBAI UNIVERSITY AT G S SRTH MEDICAL COLLEGE AND KEM HOSPITAL, MUMBAI, INDIA. I HAVE OVER 20 YEARS OF MENTAL HEALTH EXPERIENCE. I HAVE WORKED IN VARIETY OF CLINICAL SETTINGS THAT HAVE INCLUDED DRUG DEADDICTION, CHILD, ADOLESCENT, GERIATRIC AND...
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Spaces in Theory
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Relationships between work ethic and motivation to work from the point of view of the self-determination theory
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On the use of enhanced strain formulation in 6-field nonlinear shell theory with asymetric strain measures
PublicationW pracy zbadano możliwość zastosowania techniki wzbogaconych odkształceń do usunięcia zjawiska blokady w elementach skończonych opracowanych w ramach 6-parametrowej nieliniowej teorii powłok z niesymetrycznymi miarami odkształceń membranowych. Przedstawiono i porównano 4 warianty pol wzogacających odkształcenia
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Buckling analysis of shell structures with stochastic imperfections using six parameter nonlinear shell theory
PublicationPrzedstawiono wpływ wstępnych losowych imperfekcji geometrycznych na wartość obciążenia krytycznego powłoki. W obliczeniach zastosowano autorski program MES wykorzystujący 6-cio parametrową nieliniową teorię powłok.
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Application of an extended DLVO theory for the calculation of the interactions between emulsified oil droplets in alcohol solutions
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Experimental evidence about misconception of Terzaghi's 1-D consolidation theory in terms of degree of consolidation
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Adsorption of a metalorganic complex at a metal surface: A density functional theory study vs. model description
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Study of passive deck-flaps flutter control system on full bridge model. I: Theory
PublicationSformułowano modele matematyczne drgań mostu z zamontowanym pasywnym systemem sterowania flatterem w formalizmie metody elementów skończonych. System wykorzystuje stateczniki dołączone bezpośrednio do przęsła mostu. Siły aerodynamiczne działające bezpośrednio na most i stateczniki sformułowane są w przestrzeni czasu.
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On the theory and numerical simulation of acoustic and heat modes interaction in a liquid with bubbles: acoustic quasi-solitons
PublicationTeoria rzutowania zaburzenia ogólnego na mody. Zastosowanie metody do badań układu równań typu Korteweg`a-de Vries`a. Rozwiązania analityczne i simulacje numeryczne.
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Buckling Analysis of a Micro Composite Plate with Nano Coating Based on the Modified Couple Stress Theory
PublicationThe present study investigates the buckling of a thick sandwich plate under the biaxial non-uniform compression using the modified couple stress theory with various boundary conditions. For this purpose, the top and bottom faces are orthotropic graphene sheets and for the central core the isotropic soft materials are investigated. The simplified first order shear deformation theory (S-FSDT) is employed and the governing differential...
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Toward an understanding of occupational burnout among employees with autism – the Job Demands‑Resources theory perspective
PublicationThis article aims to gain insight into the phenomenon of occupational burnout among employees with autism based on the theoretical framework of the Job Demands-Resources theory and the literature on employees with autism in the workplace. Firstly, we argue that although the resources and demands of the neurotypical and neurodivergent employees might be different, the theoretical mechanism of occupational burnout formation remains...
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Laminated plates and shells - first ply failure analysis within 6-parameter shell theory
PublicationThis work describes Tsai-Wu and Hashin criteria modifications, dictated by nonlinear 6-parameter shell theory with asymmetric strain measures and drilling rotation. The material law is based on standard orthotropic elastic constants for a non-polar continuum, under plane state of stress. First ply failure loads of cylindrical panel subjected to pressure and flat compressed plate are estimated by means of Finite Element Analysis....
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Workforce mobility against the background of labour market duality theory – the example of selected OECD countries
PublicationThe paper aims to present an empirical study of labour market segmentation (LMS) hypothesis. According to the dual labour market theory jobs can be divided into two groups: primary and secondary jobs, with enter barriers into the first one. The primary jobs are usually described with relative high wages, whereas secondary jobs provide lower level of wages. In this paper we first examine the main sectors (according to the ISIC rev....
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Assesment of operation of ship main diesel engine using the theory of semi-markovian and markov processes.
PublicationTo precisely determine the task it is necessary to specify also its duration time, apart from conditions in which it will be realized. When considering propulsion engine, i.e. the main element of ship propulsion system, especially important becomes not only the problem which amount of energy could be at one's disposal but also within which time interval it could be delivered. Therefore apart from applying the commonly used reliability...
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Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (−)-α-Santonin by Experiment and Theory
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Airfoil Design Under Uncertainty Using Non-Intrusive Polynomial Chaos Theory and Utility Functions
PublicationFast and accurate airfoil design under uncertainty using non-intrusive polynomial chaos (NIPC) expansions and utility functions is proposed. The NIPC expansions provide a means to efficiently and accurately compute statistical information for a given set of input variables with associated probability distribution. Utility functions provide a way to rigorously formulate the design problem. In this work, these two methods are integrated...
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublicationThis work presents multi‐state multi‐reference Møller–Plesset second‐order perturbation theory as a variant of multi‐reference perturbation theory to treat electron correlation in molecules. An effective Hamiltonian is constructed from the first‐order wave operator to treat several strongly interacting electronic states simultaneously. The wave operator is obtained by solving the generalized Bloch equation within the first‐order...
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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublicationThe first ionization energy and associated photoelectron spectrum of ethyl formate are investigated with quantum chemistry calculations. The geometries, harmonic vibrational frequencies and first ionization energy are computed at the Hartree-Fock (HF) and at the second order Moller-Plesset perturbation theory (MP2). Moreover, accurate ionization energies are obtained with the Coupled-Cluster theory including singles and doubles...
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Drilling couples and refined constitutive equations in the resultant geometrically non-linear theory of elastic shells
PublicationIt is well known that distribution of displacements through the shell thickness is non-linear, in general. We introduce a modified polar decomposition of shell deformation gradient and a vector of deviation from the linear displacement distribution. When strains are assumed to be small, this allows one to propose an explicit definition of the drilling couples which is proportional to tangential components of the deviation vector....
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Estimation of Failure Initiation in Laminated Composites by means of Nonlinear Six-Field Shell Theory and FEM
PublicationThe monography deals with the problem of failure initiation in thin laminated composites. Known techniques of laminate structures modelling are briefly characterised. Eventually, shell based approach is chosen for the purpose of the description of the composite structures behaviour, as it predicts their deformation and states of stress effectively in a global sense. The nonlinear six parameter shell theory (6p theory) with asymmetric...
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Modulation of dielectric properties in low-loss polypropylene-based composites at GHz frequencies: theory and experiment
PublicationPolymer composites with high dielectric constant and low loss tangent are highly regarded as substrates for modern high-speed electronics. In this work, we analyze the high-frequency dielectric properties of two types of composites based on polypropylene infused with high-dielectric-constant microparticles. Two types of fillers are used: commercial ceramics or titanium oxide ( TiO2) with different concentrations. The key observation...
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Thermodynamic interpretation and prediction of CO2 solubility in imidazolium ionic liquids based on regular solution theory
PublicationRegular solution theory (RST) is the most popular model for the interpretation of the interaction between CO2 and ionic liquids. In the present work, the parameters of this model were determined for the CO2 absorption in eleven imidazolium ionic liquids. The y-intercept (A) of the RST model for the investigated imidazolium liquids increases with increasing temperature whereas the slope (B) remains constant. The values of RST parameters...
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Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory.
PublicationTime dependent density functional theory calculations are applied on a series of molecular photocatalysts of the type [(tbbpy)2M1(tpphz)M2X2]2+ (M1 = Ru, Os; M2 = Pd, Pt; X = Cl, I) in order to provide information concerning the photochemistry occurring upon excitation of the compounds in the visible region. To this aim, the energies, oscillator strengths and orbital characters of the singlet and triplet excited states are investigated....
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Multiple solutions of indefinite elliptic systems via a Galerkin-type Con- ley index theory
PublicationW pracy wykazano prawdziwość hipotezy Angenenta i van der Vorsta dotyczącąilości rozwiązań pewnego układu eliptycznego. Liczbę rozwiazań szacuje się zdołu przy pomocy niezmiennika topologicznego zwanego uogólnionym indeksemMorse`a. W dowodzie stosuje sie niezmienniczy index Conleya w przestrzeniachHilberta.
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Analysis of the enthalpies of transfer of Co(II) ion in mixed solvents by means of the theory of preferential solvation.
PublicationZa pomocą teorii solwatacji preferencyjnej zanalizowano entalpie przeniesienia jonu Co(II) w kilku mieszaninach wodno-organicznych i organicznych, wyznaczając parametry, które w sposób ilościowy opisują solwatację preferencyjną jonu i jego wpływ na oddziaływania między cząsteczkami rozpuszczalnika. Przeprowadzono porównanie właściwości solwatacyjnych mieszanin. Wyznaczono także średni skład sfery solwatacyjnej jonu w zależności...
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Two isomorphous ZnII/CoIIcomplexes with tri-tert-butoxysilanethiol and histamine, and (4-hydroxymethyl-1H-imidazole-κN)bis(tri-tert-butoxysilanethiolato-κ2O,S)zinc(II)
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Syntheses, chemical strustures and properties of poly(ester-etherurethane)s crosslinked with styrene, synthesized from unsaturated oligo(alkylene ester-ether)diols and 4,4'-diphenylmethane diisocyanate
PublicationMetodą dwuetapową, w reakcji syntezy wytworzonych uprzednio oligo(alkilenoestro-etero)dioli (OAEE) z 4,4'-diizocyjanianem difenylometanu (MDI) otrzymano nowe nienasycone poli(estro-eterouretany) (NPEEUR), które następnie poddano sieciowaniu styrenem wobec inicjatorów polimeryzacji rodnikowej: nadtlenku metyloetyloketonu (MEKPO) i 2-etylocykloheksanianu kobaltu (EtHCo). Usieciowane PEEUR scharakteryzowano na podstawie badań wytrzymałości...
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Influence of biochar produced from negative pressure-induced carbonization on transformation of potentially toxic metal(loid)s concerning plant physiological characteristics in industrially contaminated soil
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