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Search results for: Π–H INTERACTIONS
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Electrochemical, theoretical and surface physicochemical studies of the alkaline copper corrosion inhibition by newly synthesized molecular complexes of benzenediamine and tetraamine with π acceptor
PublicationTwo charge transfer complexes, namely [(BDAH)+(PA−)] CT1 [(BTAH)2+(PA−)2] and CT2 (BDAH = 1,2-benzenediamine, BTAH = 1,2,4,5-benzenetetramine, and PA− = 2,4,6-trinitrophenolate), were synthesized and fully characterized using various spectroscopic techniques. CT1 and CT2 were tested as inhibitors to effectively control the uniform and anodic corrosion processes of copper in an alkaline electrolyte (1.0 M KOH) using various electrochemical...
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Electron collisions with cyanoacetylene HC3N : Vibrational excitation and dissociative electron attachment
PublicationWe experimentally probe electron collisions with HC3N in the energy range from 0 to 10 eV with the focus on vibrational excitation and dissociative electron attachment. The vibrational excitation cross sections show a number of resonances which are mode specific: the two dominant π∗ resonances are visible in the excitation of all the vibrational modes; however, broad σ ∗ resonances are visible only in certain bond-stretching vibrational...
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublicationTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Practical Method for the Preparation of 2,2-Dimethyl-5- {aryl[(hetero)aryl]methyl}-1,3-dioxane-4,6-diones: Synthesis and Mechanistic Study
PublicationAn efficient practical synthetic procedure has been developed for the synthesis of 2,2-dimethyl-5-{aryl[(hetero)aryl]methyl}- 1,3-dioxane-4,6-diones through Friedel–Crafts alkylation. The scope and limitation of the reaction of 2,2-dimethyl-5-arylidene-1,3-dioxane- 4,6-diones with π-excess aromatic systems have been delineated.
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The adiabatic potentials of low-lying electronic states of the NaRb molecule
PublicationAdiabatic potential energy curves and spectroscopic constants have been calculated for the NaRb molecule. The results of ten states of the symmetry Σ+, six states of the symmetry Π, and two states of the symmetry Δ are obtained by the nonrelativistic quantum chemical method used with pseudopotentials describing the interaction of valence electrons with atomic cores. Analysis is based on a comparison with the results of other theoretical...
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Electron Scattering from Methyl Formate (HCOOCH3): A Joint Theoretical and Experimental Study
PublicationElastic low-energy electron collisions with methyl formate have been studied theoretically at the level of various theories. The elastic integral cross section was calculated using Schwinger multichannel and R-matrix methods, in the static-exchange and static-exchange plus polarization levels of approximations for energies up to 15 eV. The absolute total cross section for electron scattering from methyl formate has been measured...
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Deep eutectic solvents based highly efficient extractive desulfurization of fuels – Eco-friendly approach
PublicationThe developed process is based on alternative, green and cheap solvents for efficient desulfurization of fuels. Several deep eutectic solvents (DESs) were successfully synthesized and studied as extraction solvents for desulfurization of model fuel containing thiophene (T), benzothiophene (BT) and dibenzothiophene (DBT). The most important extraction parameters (i.e. kind of DES, DES: fuel volume ratio, hydrogen bond acceptor:...
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Spectroelectrochemical characteristics of poly(3,4-ethylenedioxythiophene) / iron hexacyanoferrate film-modified electrodes
PublicationPraca dotyczy pomiarów spektroelektrochemicznych materiałów hybrydowych złożonych z polimeru elektroaktywnego poli(3,4-etylenodioksytiofenu) i Błękitu Pruskiego. Dla porównania badano również filmy polimerowe z wybranymi przeciwjonami: heksacyjanożelazowym (Fe(CN)63-/4-), chlorkowym (Cl-) i polistyrenosulfonowym (PSS-). Materiały w postaci cienkich filmów otrzymano na elektrodzie szklanej pokrytej tlenkiem indowo-cynowym. Widma...
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Wiktoria Wojnicz dr hab. inż.
PeopleDSc in Mechanics (in the field of Biomechanics) - Lodz Univeristy of Technology, 2019 PhD in Mechanics (in the field of Biomechanics) - Lodz Univeristy of Technology, 2009 (with distinction) List of papers (2009 - ) Wojnicz W., Wittbrodt E., Analysis of muscles' behaviour. Part I. The computational model of muscle. Acta of Bioengineering and Biomechanics, Vol. 11, No.4, 2009, p. 15-21 Wojnicz W., Wittbrodt E., Analysis of...
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Ultrasound-assisted heterogeneous activation of persulfate and peroxymonosulfate by asphaltenes for the degradation of BTEX in water
PublicationThis study investigated – for the first time - the simultaneous degradation of benzene, toluene, ethylbenzene and o-xylene (BTEX) by persulfate (PS) and peroxymonosulfate (PMS) activated by asphaltenes (Asph) under ultrasound (US) irradiation. Advantageous properties such as high thermal stability, low production cost and extensive availability make asphaltenes as an appealing carbonaceous material for heterogeneous catalysis....
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A reliable synthesis of discrete-time H-inf control. Part I: basic theorems and J-lossless conjugators
PublicationThe paper gives a basis for solving many problems of numerically reliable synthesis of sub-optimal discrete-time control in H-inf. The approach is based on J-lossless factorisation of the delta-domain chain-scattering description of continuous-time plants being controlled. Relevant properties of poles and zeroes of chain-scattering models are given. Necessary and sufficient conditions for the existence of stabilising J-lossless...
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A hierarchical porous composite magnetic sorbent of reduced graphene oxide embedded in polyvinyl alcohol cryogel for solvent‐assisted‐solid phase extraction of polycyclic aromatic hydrocarbons
PublicationA hierarchical porouscomposite magnetic sorbent was fabricated and applied tothe dispersive solvent-assisted solid-phase extraction of five polycyclic aromatichydrocarbons. A sorbent was first prepared by incorporating graphene oxide,calcium carbonate, and magnetite nanoparticles into a polyvinyl alcohol cryo-gel. The graphene oxide was converted to reduced graphene oxide using ascorbicacid and a hierarchical porous structure was...
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Organiczne baterie słoneczne ze zdyspergowanym złączem na bazie polimerów półprzewodnikowych o wąskiej przerwie energetycznej
PublicationPrzeprowadzono badania nad zwiększeniem wydajności prądowej organicznych baterii słonecznych ze złączem objętościowym, zbudowanych z syntetycznych polimerów półprzewodnikowych, posiadających rozległe wiązania π-sprzężone i charakteryzujących się długofalową granicą absorpcji optycznej. Przeanalizowano wpływ domieszek typu n i zmiany materiału katody na molekularny proces transferu nośników ładunku w złączu. Przeprowadzono pomiary...
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Low energy differential elastic electron scattering from acetonitrile (CH3CN)
PublicationMeasurements of elastic differential cross sections for electron scattering from acetonitrile (CH3CN) have been performed utilizing a crossed electron-molecular beam experiment and with the relative flow method, for the incident electron energy range of 0.7 eV–30 eV and the scattering angle range of 10◦–130◦. These differential cross sections have been used to calculate the elastic integral and momentum- transfer cross sections,...
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Molecular geometry and optical activity of helically chiral N-nitrosamines derived from 1,2,3,4-tetrahydro- and 1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline
PublicationX-ray crystallographic analysis of the title N-nitrosamines revealed that they assume helical conformations in the solid state. Nitrosamines 1b and 2b were resolved by inclusion crystallization with optically active diols (TADDOLs). The absolute configuration of the guest molecules in the complexes 1b·3b and 2b·3b was assigned as M. The optical activity of the resolved compounds is manifested by their solid state CD spectra, which...
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ENERGY ANALYSIS OF THE PROPULSION SHAFT FATIGUE PROCESS IN A ROTATING MECHANICAL SYSTEM PART III DIMENSIONAL ANALYSIS
PublicationThis article presents the third and last part of the problem of diagnosing the fatigue of marine propulsion shafts in terms of energy with the use of the action function, undertaken by the authors. Even the most perfect physical models of real objects, observed under laboratory conditions and developed based on the results of their research, cannot be useful in diagnostics without properly transferring the obtained results to the...
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Programmed metalloporphyrins for self-assembly within light-harvesting stacks: 5,15-dicyano-10,20-bis(3,5-di-tert-butylphenyl)-porphyrinato zinc(II) and its push-pull 15-N,N-dialkylamino-5-cyano congeners obtained by a facile direct amination.
PublicationThe title dicyano compound was synthesized via cyanation and it self-assembles in nonpolar solvents giving red-shifted and broad absorption maxima just as the bacteriochlorophylls which are encountered in the light-harvesting organelles of early photosynthetic bacteria. In the crystal, stacks are formed through a hierarchic combination of π-stacking and a CNZn electrostatic interaction. Push−pull 15-N,N-dialkylamino-5-cyano congeners...
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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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Projekt belki hybrydowej 1b dla firmy H+H Polska sp. z o.o.
PublicationNiniejsze opracowanie stanowi projekt belki nadprożowej o długości 3,0 m o przekroju poprzecznym belki hybrydowej (beton konstrukcyjny łączony z betonem komórkowym) nawiązującej do wymiaru bloczka z betonu komórkowego firmy H+H Polska sp. z o.o. o wymiarach (szerokość × wysokość × długość): 10 × 24 × 60 cm, odmiany D600 o średniej wytrzymałości na ściskanie 3,0 MPa. Całkowita wysokość belki hybrydowej wynosi 24 cm.
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Projekt belki hybrydowej 1a dla firmy H+H Polska sp. z o.o.
PublicationNiniejsze opracowanie stanowi projekt belki nadprożowej o długości 3,0 m o przekroju poprzecznym belki hybrydowej (beton konstrukcyjny łączony z betonem komórkowym) nawiązującej do wymiaru bloczka z betonu komórkowego firmy H+H Polska sp. z o.o. o wymiarach (szerokość × wysokość × długość): 24 × 24 × 60 cm, odmiany D600 o średniej wytrzymałości na ściskanie 3,0 MPa. Całkowita wysokość belki hybrydowej wynosi 27 cm (wraz z 3 cm...
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Carboxylation Enhances Fragmentation of Furan upon Resonant Electron Attachment
PublicationWe report a dissociative electron attachment study to 2-furoic acid (C5H4O3) isolated in a gas phase, which is a model molecule consisting of a carboxylic group and a furan ring. Dissociation of furan by low energy electrons is accessible only via electronic excited Feshbach resonances at energies of incident electrons above 5 eV. On the other hand, carboxylic acids are well- known to dissociate via attachment of electrons at subexcitation energies....
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Longitudinally magnetized left-handed cylindrical ferrite coupled line junction for nonreciprocal devices
PublicationThis paper presents investigations of longitudinally magnetized left-handed cylindrical ferrite coupled line junction for nonreciprocal devices. The proposed junction is formed as a quasi periodic arrangement of N unit cells. Each unit cell is realized as a cascade of short cylindrical ferrite coupled lines with reactance circuit composed of series capacitors and parallel inductors. The left-handed cylindrical junction with π/4...
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Morphology control via dual solvent crystallization for high-mobility functionalized pentacene-blend thin film transistors
PublicationWe present an approach to improving the performance of solution processed organic semiconductor transistors based on a dual solvent system. We here apply this to a blend containing the π-conjugated small molecule 6,13 bis(triisopropylsilylethynyl) pentacene (TIPS-pentacene) and polystyrene, which acts as an inert binder. Using a semiconductor-binder solution of two solvents, where the main solvent is a better solvent of the small...
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Dissociative multi-photon ionization of isolated uracil and uracil-adenine complexes
PublicationRecent multi-photon ionization (MPI) experiments on uracil revealed a fragment ion at m/z 84 that was proposed as a potential marker for ring opening in the electronically excited neutral molecule. The present MPI measurements on deuterated uracil identify the fragment as C3H4N2O+ (uracil+ less CO), a plausible dissociative ionization product from the theoretically predicted open-ring isomer. Equivalent measurements on thymine...
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Interactions with recognized objects
PublicationImplicit interaction combined with object recognition techniques opens a new possibility for gathering data and analyzing user behavior for activity and context recognition. The electronic eyewear platform, eGlasses, is being developed, as an integrated and autonomous system to provide interactions with smart environment. In this paper we present a method for the interactions with the recognized objects that can be used for electronic...
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Projekt dwóch belek hybrydowych dla firmy H+H Polska sp. z o.o.
PublicationOpracowanie stanowi projekt dwóch belek nadprożowych o długości 3,0 m każda o przekroju poprzecznym belki hybrydowej (beton konstrukcyjny łączony z betonem komórkowym) nawiązującej do wymiaru bloczka z betonu komórkowego firmy H+H Polska sp. z o.o. o wymiarach (szerokość × wysokość × długość): 24 × 24 × 60 cm, odmiany D600 o średniej wytrzymałości na ściskanie 3,0 MPa (zgodnie z kartą techniczną w załączniku do opracowania). Całkowita...
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New D−π–D−π–A Systems Based on Phenothiazine Derivatives with Imidazole Structures for Photovoltaics
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Hydration of molecules and intermolecular interactions 2023
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Cyfrowy akcelerator wybranych modułów standardu kompresji wideo H.264
PublicationW artykule przedstawiono konfigurowalny cyfrowy akcelerator estymacji ruchu przeznaczony dla enkodera wideo standardu H.264. Akcelerator został zaimplementowany w technologii FPGA oraz w układzie ASIC w technologii UMC 90 nm. Obie implementacje zostały zweryfikowane, a szczegółowe wyniki pomiarów akceleratora ASIC zostały porównane z innymi dostępnymi w literaturze propozycjami. System został zoptymalizowany do współpracy z oprogramowaniem...
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Projekt belki hybrydowej 1b dla firmy H+H Polska sp. z o.o. wariant 2
PublicationNiniejsze opracowanie stanowi projekt belki nadprożowej o długości 3,0 m o przekroju poprzecznym belki hybrydowej (beton konstrukcyjny łączony z betonem komórkowym) nawiązującej do wymiaru bloczka z betonu komórkowego firmy H+H Polska sp. z o.o. o wymiarach (szerokość × wysokość × długość): 10 × 24 × 60 cm, odmiany D600 o średniej wytrzymałości na ściskanie 3,0 MPa. Całkowita wysokość belki hybrydowej wynosi 24 cm.
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Projekt belki hybrydowej 1a dla firmy H+H Polska sp. z o.o. wariant 2
PublicationNiniejsze opracowanie stanowi projekt belki nadprożowej o długości 3,0 m o przekroju poprzecznym belki hybrydowej (beton konstrukcyjny łączony z betonem komórkowym) nawiązującej do wymiaru bloczka z betonu komórkowego firmy H+H Polska sp. z o.o. o wymiarach (szerokość × wysokość × długość): 24 × 24 × 60 cm, odmiany D600 o średniej wytrzymałości na ściskanie 3,0 MPa. Całkowita wysokość belki hybrydowej wynosi 27 cm (wraz z 3 cm...
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π-Conjugated Donor-acceptor Polyelectrolytes: Toward Artificial Photosynthesis
PublicationGreat advances have been made in the development of conjugated polyelectrolytes (CPEs), which provide tunable properties including water solubility and processability, main-chain exciton and charge transport, variable energy light absorption and fluorescence, non-covalent interactions, and formation of tertiary structures via self-assembly.[1] These characteristics allow CPEs to be considered for use in various optoelectronic applications,...
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Structure–property relationships and third-order nonlinearities in diketopyrrolopyrrole based D–π–A–π–D molecules
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Configurations of H 3 + (H2)n clusters and their energies
PublicationThe H-3(+) ion plays an important role in low temperature astrophysical and laboratory plasmas. It is considered as the initiator of many ion-molecule chemistries. Also its clusters with H-2 are quite interesting. We study configurations of the H-3(+)(H-2)(n) clusters for n = 1 up to n = 12 as a simple test system. Total energies for these structures, with zero point vibration corrections have been calculated. Stabilization energies...
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The CON−H…+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway
PublicationThe paper is focusing on the amide linkage exceptional properties and usage of chemistry (conformational rearrangement, geometrical stereoisomers, spectroscopic blue shift phenomenon, protonation and deprotonation reactions, synthetic scope, and mechanistic implications). Hydrogen-bond-stabilized acylation reactions of a diamine with thioamides or nitriles reveal how substituents influence both the outcome of stereoselectivity...
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Intercultural interactions in multinational subsidiaries
PublicationPurpose - Our aim is to show how individuals perceive the quality of intercultural interactions at work in multinational subsidiaries, and to address the question of what actually prevails in their accounts, i.e. ‘the dark side’ or ‘the bright side’. Design/methodology/approach - We report the findings from five subsidiaries located in Poland and interviews with 68 employees of these companies. Findings - The ‘bright side’ dominated...
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Dokumentacja oraz wnioski z badań belek hybrydowych dla firmy H+H Polska sp. z o.o.
PublicationOpracowanie stanowi dokumentację oraz wnioski z badań belek nadprożowych o długości 3,0 m każda o przekroju poprzecznym belki hybrydowej (beton konstrukcyjny łączony z betonem komórkowym) nawiązującej do wymiaru bloczka z betonu komórkowego firmy H+H Polska sp. z o.o. o wymiarach (szerokość × wysokość × długość): 24 × 24 × 60 cm, odmiany D600 o średniej wytrzymałości na ściskanie 3,0 MPa (zgodnie z kartą techniczną w załączniku...
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Evaluation of pounding effects between reinforced concrete frames subjected to far-field earthquakes in terms of damage index
PublicationIn this paper, three different damage indexes were used to detect nonlinear damages in two adjacent Reinforced Concrete (RC) structures considering pounding effects. 2-, 4- and 8-story benchmark RC Moment Resisting Frames (MRFs) were selected for this purpose with 60%, 75%, and 100% of minimum separation distance and also without any in-between separation gap. These structures were analyzed using the incremental dynamic analysis...
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Interactions of positrons with atoms and molecules
PublicationThe positron is the antiparticle of the electron. It has the same mass as the electron, but opposite charge. The understanding of the interactions of positrons with normal matter, like atoms and molecules, is of interest in various scientific fields, like nuclear medicine, plasma physics and astronomy. In this talk we will give a short introduction to some theoretical methods to describe the interactions of positrons with atoms...
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Cyfrowy akcelerator wybranych modułów standardu kompresji wideo H.264
PublicationW komunikacie przedstawiono konfigurowalny cyfrowy akcelerator estymacji ruchu (motion estimation) przeznaczony dla enkodera wideo standardu H.264. Akcelerator został wstępnie zaimplementowany w układzie FPGA VIRTEX6-VLX365T, a następnie w układzie ASIC w technologii UMC 90 nm. Obie implementacje zostały zweryfikowane pozytywnie, a szczegółowe wyniki symulacji i pomiarów akceleratora ASIC zostały porównane z innymi dostępnymi w...
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Magnetoacoustic heating in a quasi-isentropic magnetic gas
PublicationThe nonlinear heating of a plasma which associates with the transfer of energy of magnetoacoustic waves into that of the entropy mode, is analytically studied. A plasma is uniform and motionless at equilibrium. Perturbations in a plasma are described by a system of ideal magnetohydrodynamic equations. The equilibrium straight magnetic strength and the wave vector form a constant angle which varies from 0 to π/2. There exist four...
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Reactions of tBu2P-PLi-P(tBu)2 with [(Et3P)2MCl2] (M = Ni, Pd, Pt). Synthesis and properties of [(1,2-h-tBu2P=P-P(tBu)2)M(PEt3)Cl] (M=Ni, Pd)
PublicationtBu2P-PLi-P(tBu)2*2THF reaguje z [(Et3P)2MCl2] (M = Ni, Pd) dając odpowiednio [(1,2-h-tBu2P=P-P(tBu)2)Ni(PEt3)Cl] i [(1,2-h-tBu2P=P-P(tBu)2)Pd(PEt3)Cl]. Związek tBu2P-PLi-P(tBu)2 utlenia się i ligand tBu2P-P-P(tBu)2 przyjmuje w produktach strukturę bocznie związanego kationu z krótkim wiązaniem P-P. Reakcja ze związkami platyny nie dała oczekiwanych produktów.
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Control strategy for the multilevel cascaded H-bridge converter
PublicationThe paper presents the control strategy for Cascaded H-bridge (CHB) converter . The converter output voltage using Space-Vector Pulse Width Modulation (SV-PWM) strategy is controlled. The DC-link voltages are controlled by appropriate choice of H-Bridges and appropriate choice of active and passive vectors.
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H and V News
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Earth Interactions
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HYPERFINE INTERACTIONS
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INTERNATIONAL INTERACTIONS
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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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Pasternak H., Hoch H.-U., Fug D>: Stahltragwerke in industriebau
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Power electronic transformer based on cascaded H-bridge converter
PublicationIn this paper the control strategy of power electronic transformer (PET) is proposed. The analyzed structure of PET uses two seven-level cascaded H-bridge (CHB) rectifiers. The electrical power of PET is transferred between DC-links of CHB converters using dual-active-bridges (DABs) and low voltage high frequency transformers. The roposed solution allows for controlling the active and reactive power with a low level of harmonic...