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Wyniki wyszukiwania dla: CHALCOGEN BONDS
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A review of amide bond formation in microwave organic synthesis
PublikacjaMicrowave-Assisted Organic Synthesis (MAOS) is one of the most current trends in organic chemistry. Herein, both the most popular and new approaches in microwave-syntheses of very important linkage in Nature - amide bond - are overviewed and compared with conventional synthetic routes.
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Wave propagation in a sensor/actuator diffusion bond model
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Functionalization of cysteine derivatives by unsymmetrical disulfide bond formation
PublikacjaOpracowano metodę funkcjonalizacji pochodnych cysteiny przy pomocy tworzenia niesymetrycznego wiązania disulfidowego. Opracowana metoda okazała się bardzo łagodna, wydajna, i niewrażliwa na obecność dodatkowych grup funkcyjnych.
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Sharp bounds for the complexity of semi-equitable coloring of cubic and subcubic graphs
PublikacjaIn this paper we consider the complexity of semi-equitable k-coloring of the vertices of a cubic or subcubic graph. We show that, given n-vertex subcubic graph G, a semi-equitable k-coloring of G is NP-hard if s >= 7n/20 and polynomially solvable if s <= 7n/21, where s is the size of maximum color class of the coloring.
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Tensile and flexural moduli for human orbital wall bones – comparative study
PublikacjaThe main aims of the current research were: (1) to analyze in detail the tensile modulus and ultimate tensile strength (UTS) of orbital wall bones separately for the left and right orbit of the same cadaver and (2) to compare the obtained results with a flexural modulus of the left and right orbit reported earlier by A. C. van Leeuwen et al. [14]. A set of 54 specimens of orbital superior and/or medial walls harvested from 16 human...
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Analytical progress on symmetric geometric discord: Measurement-based upper bounds
PublikacjaQuantum correlations may be measured by means of the distance of the state to the subclass ofstates having well defined classical properties. In particular, a geometric measure of asymmetricdiscord [Daki´c et al., Phys. Rev. Lett. 105, 190502 (2010)] was recently defined as the Hilbert-Schmidt distance of a given two-qubit state to the closest classical-quantum (CQ) correlated state.We analyze a geometric measure of symmetric...
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Tight bounds on the complexity of semi-equitable coloring of cubic and subcubic graphs
PublikacjaWe consider the complexity of semi-equitable k-coloring, k>3, of the vertices of a cubic or subcubic graph G. In particular, we show that, given a n-vertex subcubic graph G, it is NP-complete to obtain a semi-equitable k-coloring of G whose non-equitable color class is of size s if s>n/3, and it is polynomially solvable if s, n/3.
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Dental Condition as A Factor Modifying the Transmission of the Sound Vibration in the Skull Bones
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Linear Micropolar Elasticity Analysis of Stresses in Bones Under Static Loads
PublikacjaWe discuss the finite element modeling of porous materials such as bones using the linear micropolar elasticity. In order to solve static boundary-value problems, we developed new finite elements, which capture the micropolar behavior of the material. Developed elements were implemented in the commercial software ABAQUS. The modeling of a femur bone with and without implant under various stages of healing is discussed in details
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Synthesis of isomeric, oxathiolone fuded chalcones and comparison of their activity toward various microorganisms and human cancer cell lines
PublikacjaIzomeryczne oksationolowe sprzężone chalkony otrzymano w wyniku kondensacji odpowiedniego acetylobenzo[1,3]oksatiolo-2-onu z aldehydem benzoesowym w środowisku kwaśnym. Określono aktywność cytotoksyczną otrzymanych związków wobec komórek linii HeLa, przeciwbakteryjną wobec Micrococcus luteus, Staphylococcus aureus, Salmonella typhimurium, Escherichia coli i Proteus vulgaris, przeciwgrzybową wobec Candida albicans i tuberkulostatyczną...
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Novel chalcone-derived pyrazoles as potential therapeutic agents for the treatment of non-small cell lung cancer
PublikacjaLung cancer is considered to account for approximately one-fifth of all malignant tumor-related deaths worldwide and is therefore one of the most lethal malignancies. Pyrazole scaffold possesses a wide range of biological and pharmacological activities, which play important roles in medicinal chemistry. The present study reports the synthesis and in vitro biological characterization of nine pyrazoles derived from chalcones as potential...
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Mercury bonds with carbon (OC and EC) in small aerosols (PM1) in the urbanized coastal zone of the Gulf of Gdansk (southern Baltic)
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublikacjaThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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Variable-temperature X-ray diffraction study of structural parameters of NH---S hydrogen bonds in triethylammonium and pyridinium silanethiolates
PublikacjaHydrogen bonds in triethylammonium and pyridinium silanethiolate salts have been characterized by X-ray, FT–IR and NMR spectroscopies. DFT calculations reveal strongly asymmetric double-well minima at the potential energy curves of the studied compounds
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Experimental and quantum chemical evidences for C–H⋯N hydrogen bonds involving quaternary pyridinium salts and pyridinium ylides
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Phosphinoborinium cation: a synthon for cationic B-P bond systems
PublikacjaHerein, we report access to phosphinoborinium cations via heterolytic cleavage of the boron-bromide bond in bromophosphinoborane. The product of the reaction was isolated as a dimeric dication possessing a planar P2B2 core. Activation of C-H and C-P bonds in the dication led to formation of the borinium-phosphaborene adduct. Reactivity studies revealed that title cation exhibits ambiphilic properties and intramolecular frustrated...
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A highly-efficient technique for evaluating bond-orientational order parameters
PublikacjaWe propose a novel, highly-efficient approach for the evaluation of bond-orientational order parameters (BOPs). Our approach exploits the properties of spherical harmonics and Wigner 3jj-symbols to reduce the number of terms in the expressions for BOPs, and employs simultaneous interpolation of normalised associated Legendre polynomials and trigonometric functions to dramatically reduce the total number of arithmetic operations....
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Modelling and analysis of beam/bar structure by application of bond graphs
PublikacjaThe paper presents an uniform, port-based approach to modelling of beam/bar systems (trusses). Port-based model of such distributed parameter system has been defined by application of the bond graph methodology and the distributed transfer function method (DTFM). The proposed method of modelling enables to formulate input data for computer analysis by application of the DTFM. The constructed computational package enables the frequency...
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Modelling of energy flow in electrical machines. A bond graph approach
PublikacjaPrzedstawiono w ujęcia grafów wiązań model przepływu energii/mocy w maszynach elektrycznych pracujących w hybrydowych systemach przetwarzania energii. Jako przykład do rozważań przyjęto system napędu trakcyjnego pojazdów hybrydowych.
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Modelling of energy flow in mechatronic systems. A bond graph approach
PublikacjaW referacie przedstawiono w sposób jednoliy modelowanie systemów mechatroniki metodą grafów wiązań (GW) w aspekcie symulacji przepływu energii. Omówiono ogólne założenia modelowania w ujęciu GW. Modelowanie przepływu energii rozważano na przykładzie napędu pojazdu hybrydowego PH-MAK.
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The Reactivity of the Imine Bond within Polynuclear Nickel(II) Complexes
PublikacjaThree novel Ni complexes with the Schiff base ligand 2-methoxy-6-(E-2-pyridyliminomethyl)-phenol (L1) are described. In comparison with the similar 2-(pyridine-2-ylimino-methyl)phenol (pymp), the mode of coordination of L1 is altered due to the presence of methoxy substituent introducing the sterical hindrance. During the synthesis of the complexes, partial hydrolysis of the ligand was observed. Since such immediate hydrolysis...
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Optimisation and field assessment of poroelastic wearing course bond quality
PublikacjaCompared to typical asphalt mixtures, poroelastic mixtures are characterised by high porosity and high flexibility, which are desirable for traffic noise reduction. However, the same properties increase the risk of debonding from the lower layer, which is a significant source of premature damage. The study investigates which of the factors – tack coat agent, type and texture of the lower layer – have the greatest impact on interlayer...
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Estimation of the Ultimate Strength of FRP Strips-to-Masonry Substrates Bond
PublikacjaFiber-Reinforced Polymers (FRP) were developed as a new method over the past decades due to their many beneficial mechanical properties, and they are commonly applied to strengthen masonry structures. In this paper, the Artificial Neural Network (ANN), K-fold Cross-Validation (KFCV) technique, Multivariate Adaptive Regression Spline (MARS) method, and M5 Model Tree (M5MT) method were utilized to predict the ultimate strength of...
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Tensile modulus of human orbital wall bones cut in sagittal and coronal planes
PublikacjaIn the current research, 68 specimens of orbital superior and/or medial walls taken from 33 human cadavers (12 females, 21 males) were subjected to uniaxial tension untill fracture. The samples were cut in the coronal (38 specimens) and sagittal (30 specimens) planes of the orbital wall. Apparent density (ρapp), tensile Young’s modulus (E-modulus) and ultimate tensile strength (UTS) were identified. Innovative test protocols were...
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Photocatalytic activity of solvothermal prepared BiOClBr with imidazolium ionic liquids as a halogen sources in cytostatic drugs removal
PublikacjaIn this work, the BiOClBr, as a new family of bismuth based semiconductors, was successfully applied to remove of cytostatic drugs from water under UV-Vis light irradiation. BiOCl, BiOBr and BiOClBr were synthesized using two steps solvothermal method in glycerol. The inorganic salts (KCl and KBr) and 1-butyl-3-metylimidazolium chloride (BmimCl) and 1-butyl-3-metylimidazolium bromide (BmimBr) ionic liquids (ILs) were used as the...
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Modelling electrical machines using bond graphs for mechatronics system applications.
PublikacjaW artykule przedstawiono modelowanie maszyn elektrycznych metodą grafów wiązań dla potrzeb mechatroniki. Omówiono ogólne założenia modelowania maszyn elektrycznych w ujęciu grafów wiązań, bazującego na modelach wzorcowego sprzężenia transformatorowego i elektromechanicznego. Wykorzystując modele tych sprzężeń przedstawiono w ujęciu grafów wiązań model maszyny indukcyjnej w układzie współrzędnych naturalnych stojana. Model opracowano...
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Modelling of distributed-lumped parameter systems by application of modal bond graphs.
PublikacjaZastosowano metodę transmitancji układów o parametrach rozłożonych oraz dekompozycję modalną do modelowania wybranych układów dynamicznych. Zaproponowane podejście pozwala otrzymać dokładne modele niskiego rzędu w postaci grafów wiązań.
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An effective method for studying intermolecular interactions in binary liquids with hydrogen bonds: FTIR spectra and ab initio calculations in the N-methylformamide - methanol system
PublikacjaMolecular complexes in methanol (MeOH)−N-methylformamide (NMF) mixtures were studied based on their FTIR-ATR spectra, to which two methods of analysis were applied: factor analysis and a quantitative version of the difference-spectra method. The mean composition of a complex between NMF and MeOH molecules over the whole range of mixture compositions was determined. Absorbing species differentiated with regard to the interaction...
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Experimental-Numerical Analysis of the Effect of Bar Diameter on Bond in Pull-Out Test
PublikacjaBar diameter is one of the basic factors affecting bond behavior, which is still of interest due to opposing opinions regarding its effect on bond behavior in the pull-out test. This paper presents an experimental and numerical bond analysis of ribbed reinforcing bar in concrete. The aim was to experimentally evaluate the effect of bar diameter on the bond behavior in the pull-out test and to perform numerical simulations of the...
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Experiments and calibration of a bond-slip relation and efficiency factors for textile reinforcement in concrete
PublikacjaTextile reinforcement yarns consist of many filaments, which can slip relative each other. At modelling of the global structural behaviour, interfilament slip in the yarns, and slip between the yarns and the concrete can be considered by efficiency factors for the stiffness and strength of the yarns, and by applying a bond-slip relation between yarns and concrete. In this work, an effective and robust method for calibration of...
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Conformers and hydrogen bond transformations in N-methylpiperidine betaine 2,4-dinitrophenolate crystals
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The Use of Raman Spectroscopy to Monitor Changes in the Intensity of Ratio of Integral Unsaturated Bands in Bio-Greases
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Wpływ uproszczeń na obliczanie spływu deszczowego w zlewni zurbanizowanej / K. Weinerowska-Bords.
PublikacjaKsiążka poświęcona jest wybranym zagadnieniom dotyczącym obliczania spływu deszczowego w zlewni zurbanizowanej. Szczególny nacisk położono na kwestie związane ze stosowaniem różnego typu uproszczeń w obliczeniach inżynierskich - ich rodzaje, przyczyny stosowania i konsekwencje. W książce skoncentrowano się na najpopularniejszych metodach inżynierskich, przede wszystkim na metodzie stałych natężeń deszczu, ale przedstawiono także...
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Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl-perfluoroaryl interactions
PublikacjaWspółkrystalizacja pentafluorojodobenzenu z metylowymi pochodnymi pirydyny prowadzi do powstania heterodimerów stabilizowanych wiązaniem halogenowym C-I...N, które organizują się w dwuwymiarowe struktury typu brick-wall, utrzymywane oddziaływaniami pi-pi pomiędzy jednostkami arylowymi i perfluoroarylowymi.
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Bond-graphs based modelling of hybrid energy systems with permanent magnet brushless machines
PublikacjaW referacie przedstawiono metodę grafów wiązań (GW) w zastosowaniu do modelowania hybrydowych systemów energetycznych z bezszczotkowymi maszynami o magnesach trwałych (BMMT). W części pierwszej referatu omówiono ogólne formalizm GW. Następnie przedstawiono kolejno: ogólną strukturę modelu hybrydowego systemu energetycznego w ujęciu GW; założenia modelowania maszyn elektrycznych w ujęciu GW, model SBMT w ujęciu GW dla potrzeb modelowania...
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Enhancing the Effectiveness of the Diamond Metal Bond Instrument when Grinding High-Strength Materials
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Bond-graphs based modelling of hybrid energy systems with permanent magnet brushless machines
PublikacjaW referacie przedstawiono metodę grafów wiązań (GW) w zastosowaniu do modelowania hybrydowych systemów energetycznych z bezszczotkowymi maszynami elektrycznymi o magnesach trwałych. W części pierwszej referatu omówiono ogólne formalizm GW. Następnie przedstawiono kolejno: ogólną strukturę modelu hybrydowego systemu energetycznego w ujęciu GW; założenia modelowania maszyn elektrycznych w ujęciu GW, model silnika bezszczotkowego...
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Bond-graphs based modelling of hybrid energy systems with permanent magnet brushless machines
PublikacjaW referacie przedstawiono metodę grafów wiązań (GW) w zastosowaniu do modelowania hybrydowych systemów energetycznych z bezszczotkowymi maszynami elektrycznymi o magnesach trwałych. W części pierwszej referatu omówiono ogólne formalizm GW. Następnie przedstawiono kolejno: ogólną strukturę modelu hybrydowego systemu energetycznego w ujęciu GW; założenia modelowania maszyn elektrycznych w ujęciu GW, model silnika bezszczotkowego...
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Tests of bond between concrete and steel bars – literature background and program of own research
PublikacjaThis article deals with the issue of the bond between concrete and reinforcement. The bond is crucial for reinforced concrete elements because it is possible to transfer forces (stresses) from concrete to the reinforcement. Basic information related to the cooperation of concrete and rebars was recalled in the article. Selected issues concerning theoretical and numerical analysis as well as experiments of the bond phenomenon were...
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Noncryogenic Synthesis of Functionalized 2-Methoxypyridines by Halogen-Magnesium Exchange Using Lithium Dibutyl(isopropyl)magnesate(1-) and Lithium Chloride
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Interpreting the expansion of sea fishing in medieval Europe using stable isotope analysis of archaeological cod bones
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Photo-elastic and DIC techniques to study development of dilatant and compaction shear bands within granular materials
PublikacjaW artykule omówiono wyniki doświadczalne w odniesieniu do rozwoju stref ścinania w materiałach granulowanych. Wyniki stref ścinania otrzymano stosując metodę foto-sprężystą oraz technikę korelacji cyfrowych obrazów DIC. Pokazano zalety i wady obu metod to wykrywania stref scinania.
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New examples of N^(+)-H···^(-)S hydrogen bonds: Synthesis and X-ray study of selected secondary ammonium tri-tert-butoxysilanethiolates
PublikacjaTri-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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Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach
PublikacjaCrystal structures of (H2m4na)NO3 (1), (H2m4na)HSO4 (2), (H2m4na)2SiF6 (3) and (H2m4na)2SiF6*2H2O (4), where 2m4na = 2-methyl-4-nitroaniline, are presented. Two layers of interactions occur in the structures, N—H...O/F hydrogen bonds and interactions with the nitro group. Although diverse, hydrogen-bonding patterns are compared with each other by means of interrelations among elementary graph-set descriptors and descriptors of hydrogen-bonding...
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Cubane Like Structure of a Silanethiol Primary Amine Assembly a Novel, Unusual Hydrogen Bond Pattern.
PublikacjaMetodą rentgenowskiej analizy strukturalnej wyznaczono struktury krystaliczne i cząsteczkowe trzech soli amoniowych: (t-BuO)3SiS(-)H3N(+)Bu-t, (i-PrO)3SiS(-)H3N(+)Bu-t i (t-BuO)3SiS(-)H3N(+)(CH2)2CH(CH3)2. Wszystkie trzy związki w ciele stałym tworzą tetramery w których atomy S i N wyznaczają w przybliżeniu naroża sześcianu. Trwałość tych agregatów, oprócz sił elektrostatycznego przyciągania, zapewnia sieć wiązań wodorowych N-H
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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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A Model of Thermal Energy Storage According to the Convention of Bond Graphs (BG) and State Equations (SE)
PublikacjaThe main advantage of the use of the Bond Graphs method and State Equations for modeling energy systems with a complex structure (marine power plants, hybrid vehicles, etc.) is the ability to model the system components of different physical nature using identical theoretical basis. The paper presents a method of modeling thermal energy storage, which is in line with basic BG theory. Critical comments have been put forward concerning...
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Preparation of Pseudopeptides Building Blocks with Retro-Thioamide Bond Mediated via Thiocarbamoyl Meldrum's Acid
PublikacjaAn easy and efficient synthesis of pseudo tripeptide containing a thiomalonamide moiety was developed. Isothiocyanate derivatives of amino acids react smoothly with 2,2-dimethyl-1,3-dioxane-4,6-dione yielding new thiocarbamoyl Meldrum's acids. Thermal decomposition of this new Meldrum's acid derivatives generate thiocarbamoyl ketenes, which acylate amino acid esters to give pseudo tripeptides.
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CAUSALITY IN MODELS OF THERMAL PROCESSES IN SHIP ENGINE ROOMS WITH THE USE OF BOND GRAPH (BG) METHOD
PublikacjaWith a single approach to modeling elements of different physical nature, the method of Bond Graph (BG) is particularly well suited for modeling energy systems consisting of mechanical, thermal, electrical and hydraulic elements that operate in the power system engine room. The paper refers to the earlier presented new concept of thermal process modeling using the BG method. The authors own suggestions for determining causality...
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Dissociative Low-Energy Electron Attachment to the C–S Bond of H3CSCH3 Influenced by Coulomb Stabilization
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