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Wyniki wyszukiwania dla: POLYESTERS, SOLID STATE NMR, DFT CALCULATIONS
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublikacjaThis 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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Comparison of Cu1.3Mn1.7O4 spinels doped with Ni or Fe and synthesized via wet chemistry and solid-state reaction methods, designed as potential coating materials for metallic interconnects
PublikacjaThe influence of the method applied to synthesize Cu-Mn-O spinel was evaluated. The methods selected for the investigation were EDTA gel processes and solid-state reaction synthesis. From the obtained powders, sinters were prepared and assessed in terms of their properties as potential coating materials. Additionally, the influence of Ni and Fe dopants was evaluated. The results show that the EDTA gel processes method seems to...
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The possibility of application of the potentiometric sensor with all-solid-state electrodes containing lipid-polymer membranes for classification of tested black leaf teas in terms of their quality
PublikacjaPotentiometric sensor with all-solid-state electrodes containing lipid-polymer membranes for a set of black leaf teas coming from four countries (China, India, Sri Lanka and Kenia) classification was applied. The tested tea samples were reassigned to quality classes marked with numbers I–V according to the information available. The sensor results of tea samples are presented in the form of radar charts. It was observed that, in...
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Marek Adamowicz dr hab. inż.
OsobyStopień naukowy doktora uzyskał w 2008 r. na Wydziale Elektrotechniki i Automatyki Politechniki Gdańskiej. W latach 2005 – 2011 pracował na Akademii Morskiej w Gdyni. W 2010 r. jako laureat programu NCBR LIDER wybrał Wydział Elektrotechniki i Automatyki Politechniki Gdańskiej jako jednostkę realizującą swój projekt z zakresu szerokopasmowych przyrządów półprzewodnikowych i ich zastosowań w elektrowniach wiatrowych. Od 2011 roku...
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CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES
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Ternary Bismuthide SrPtBi2: Computation and Experiment in Synergism to Explore Solid-State Materials
PublikacjaA combination of theoretical calculation and the experimental synthesis to explore the new ternary compound is demonstrated in the Sr–Pt–Bi system. Because Pt–Bi is considered as a new critical charge-transfer pair for superconductivity, it inspired us to investigate the Sr–Pt–Bi system. With a thorough calculation of all the known stable/metastable compounds in the Sr–Pt–Bi system and crystal structure predictions, the thermodynamic...
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Theoretical estimation of acid–base properties of Lewis and Brønsted centres at the V-W-O catalyst surface: water molecule as the probe in DFT calculations
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Application of Potentiometric Taste Sensor with All Solid State Electrodes for Distinguishing of Red Dry Wines from Polish and French Vineyards
PublikacjaOpracowano nowy potencjometryczny czujnik smaku z sześcioma różnymi elektrodami typu All Solid State Electrode (ASSE). Każda z elektrod zawiera dwie warstwy: polimer przewodzący i membranę lipidowo-polimerową, w której rozpuszczone są poszczególne związki lipidowe. Potencjometryczny sensor smaku charakteryzuje się globalną selektywnością. Zastosowano go w celu odróżnienia próbek wytrawnych czerwonych win pochodzących z różnych...
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Janusz Nieznański prof. dr hab. inż.
OsobyUrodził się w 1957 r. w Gdańsku. Jest absolwentem Wydziału Elektrycznego Politechniki Gdańskiej (1981). W 1990 r. uzyskał stopień doktora, w 1999 r. stopień doktora habilitowanego, a w 2015 r. tytuł profesora. Jest pracownikiem naukowo-dydaktycznym Politechniki Gdańskiej nieprzerwanie od ukończenia studiów. Jego zainteresowania naukowe obejmują sterowanie, diagnostykę, modelowanie i symulację układów energoelektronicznych i napędowych,...
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Triplet energy exchange between fluorescent and phosphorescent organic molecules in a solid state matrix.
PublikacjaW pracy przedstawiono model wymiany energii trypletów na podstawie mechanizmu Dextera i zweryfikowano go w układzie dwuamina TPD : organiczny komleks Ir(ppy)3: matryca poliwęglanowa, mierząc czasy życia emisji Ir(ppy)3 przy różnych koncentracjach molekuł TPD.
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Barium boron aluminum silicate glass system for solid state optical gas sensors
PublikacjaRecent increasing demand for new eco-friendly materials and for low cost fabrication process for use in optical sensors field, raise concern about alternative materials for this application. We have designed two glass-ceramics compositions from the quaternary ROAl2O3- SiO2-B2O3(R=Ba) alkali-earth aluminum silicate system, labeled B72 and B69, with high refractive index (>1.6), large values of Abbe number (94.0 and 53.0, respectively),...
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A Case Study on the Desired Selectivity in Solid‐State Mechano‐ and Slow‐Chemistry, Melt, and Solution Methodologies
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Transmission vs. Diffuse Transmission in Circular Dichroism: What to Choose for Probing Solid-State Samples?
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Agro‐industrial wastes for production of paclitaxel by irradiated Aspergillus fumigatus under solid‐state fermentation
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Solid-State Dewetting as a Driving Force for Structural Transformation and Magnetization Reversal Mechniasm in FePd Thin Films
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Structure and electrical properties of ceramic proton conductors obtained with molten-salt and solid-state synthesis methods
PublikacjaPublikacja omawia wyniki badań niobanu lantanu domieszkowanego akceptorowo pod kątem właściwości elektrycznych i strukturalnych.
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MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY (Materials Science and Engineering B-Advanced Functional Solid-State Materials)
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Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties
PublikacjaUsing 1H-imidazole-4-carboxylic acid (4imCOOH) and 1H-pyrazole-3-carboxylic acid (3pyrCOOH) coordination polymers [Pb(4imCOO)2(H2O)]n (1) and [Pb2(3pyrCOO)4]n (2) were constructed. Obtained polymers were characterized via FT-IR, X-ray, PL and TG methods. The coordination polyhedron around Pb(II) in 1 is described as distorted pentagonal pyramid with hemidirected coordination sphere (based on DFT calculations). Compound 2 consists...
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The XRD diffraction patterns of as-prepared (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials synthesized via the solid state reaction method
Dane BadawczeThe (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials were synthesized via the solid state reaction method and examined as a potential anode material. First, the mixed oxide reagents were pressed into pellets and calcined at 1200 °C for 12 hours to decompose most of the organic compounds. The resulting calcined pellet was ground...
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Incensfuran: isolation, X-ray crystal structure and absolute configuration by means of chiroptical studies in solution and solid state
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Electronic Circular Dichroism Imaging (ECD i ) Casts a New Light on the Origin of Solid‐State Chiroptical Properties
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Fast, solvent-free synthesis of ferrocene-containing organic cages via dynamic covalent chemistry in the solid state
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Opracowanie potencjometrycznej wieloczujnikowej platformy wykonanej całkowicie w technologii All-Solid-State do jednoczesnego oznaczania kilku jonów w roztworach wodnych
PublikacjaW pracy przedstawiono charakterystykę i konstrukcje różnych elektrod jonoselektywnych (EJS), a także opisano elektrodę odniesienia i jej funkcję. Przybliżono możliwości zastosowania EJS do monitorowania śladowych ilości ołowiu (II) w otoczeniu kopalni rud cynku i ołowiu, oraz jako biowskaźnik stanu pacjenta w czasie wstrząsu septycznego. Opisano wieloczujnikowe platformy potencjometryczne (WPP) w technologii All-Solid-State (ASS). W...
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Rengel Cane Sia Doctoral Candidate
OsobyI'm Rengel, born and raised in the Philippines. As an undergraduate I did kinetic modeling on Copper-catalyzed atom transfer radical addition (ATRA). Then I was inspired to do both theoretical and experimental studies, which led me to propose my master's thesis on Synthesis, Computational, Electrochemical, and Photoconductivity Studies on Naphthalene and its derivatives. This led to a master's degree in Chemistry in the Mindanao...
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IEEE Journal on Exploratory Solid-State Computational Devices and Circuits
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Limonene: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, electron scattering, He(I) photoelectron spectroscopy and ab initio calculations
PublikacjaZbadano limonen metodami spektroskopii absorpcyjnej, elektronowej, fotojonizacyjnej. Wyniki porównano z obliczeniami ab initio. Otrzymano strukturę wibracyjną molekuły.
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New and potent production platform of the acetylcholinesterase inhibitor huperzine A by gamma-irradiated Alternaria brassicae under solid-state fermentation
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Solid-state fermentation for enhanced production of selenium nanoparticles by gamma-irradiated Monascus purpureus and their biological evaluation and photocatalytic activities
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Miniaturized Solid Phase Extraction techniques for different kind of pollutants analysis: State of the art and future perspectives – PART 1
PublikacjaSolid Phase Extraction (SPE) has been practiced in a modern form for more than half a century. It was constantly developing, driven by the analysts needs. These needs are coming from the importance to select an appropriate analytical method, which should have satisfactory accuracy, precision and sensitivity. In the case of sorbent-based microextraction techniques, the choice of miniaturized variants that meet these requirements...
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Miniaturized solid phase extraction techniques for different kind of pollutants analysis: State of the art and future perspectives – PART 2
PublikacjaDetermination of pollutants present in environmental samples at a low concentration level very often requires the analytical protocol that includes analytes isolation and/or enrichment prior to the final quantification. Miniaturized SPE offers an interesting alternative to LLE. Nowadays, many types of sorbents are available and can be used as selective materials for extraction of varied analytes in different kinds of samples. The...
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SOLID STATE TECHNOLOGY
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Solid State Conductivity of Optimized Polypyrrole Coatings on Iron Obtained from Aqueous Sodium Salicylate Solution Determined by Impedance Spectroscopy
PublikacjaIn this work the optimization procedure for corrosion resistance, surface analysis and electrical properties of PPy-Fe electrodes have been examined. Polypyrrole (PPy) film was electrochemically synthesized in a one step process from an aqueous solution of sodium salicylate and pyrrole with certain concentrations, different parameters and type of polymerization...
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Application of vibrational spectroscopy, thermal analyses and X-Ray diffraction in the rapid evaluation of the stability in solid-state of ranitidine, famotidine and cimetidine
PublikacjaThis paper reports the study on applicability of Fourier transform infrared (FTIR), near-infrared (NIR) and Raman spectroscopy, differential scanning calorimetry (DSC) and X-ray diffraction (XRD) for the estimation of the chemical stability and photostability of histamine H2-receptor antagonist substances. Ranitidine hydrochloride (RAN), famotidine (FAM) and cimetidine (CIM) were tested and differences in sensitivity were measured...
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A coordination chemistry study of hydrated and solvated cationic vanadium ions in oxidation states +III, +IV, and +V in solution and solid state
PublikacjaPrzedmiotem studiów jest chemia koordynacyjna solwatów jonów wanadu(III), oksowanadu(IV) jaki i dioksowanadu(V) w rozpuszczalnikach tlenowo-donorowych takich jak: woda, dimetylosulfotlenek (DMSO) oraz N,N'-dimetylopropylenomocznik (DMPU). Badania prowadzone były w roztworach ciekłych jak i w fazie stałej z wykorzystaniem absorpcji (EXAFS), rozproszenia (LAXS) jak i dyfrakcji promieniowania X. Analiza uzyskanych wyników wskazuje,...
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IEEE International Solid-State Circuits Conference
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Molecular geometry of phenylboronic acid
Dane BadawczeData presents molecular geometry of the ground singlet state of phenylboronic acid. The geometry was obtained via DFT calculations using Becke–Lee–Yang–Parr density functional (B3LYP) with the balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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ECS Journal of Solid State Science and Technology
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5- epi -Incensole: synthesis, X-ray crystal structure and absolute configuration by means of ECD and VCD studies in solution and solid state
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The structure of dimethylsulfoxide-solvated magnesium and calcium ions in solution and the solid state, and overview of the coordination chemistry of hydrated and solvated alkaline earth metal ions
PublikacjaOznaczono strukturę w stanie stałym i ciekłym solwatowanych jonów magnezu i wapnia w dimetylosulfotlenku. Stwierdzono, ze jony te tworzą sześciokoordynacyjne solwaty ze średnią długością wiązań Mg-O i Ca-O 2.062(4) i 2.303(5)A. Przegląd literaturowy ukazał, że jony berylu i magnezu we wszystkich rozpuszczalnikach tworzą odpowiednio cztero- i sześciokoordynacyjne solwaty, podczas gdy jony wapnia i strontu istnieją jako ośmiokoordynacyjne...
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Impact of High Pressure on Metallophilic Interactions and Its Consequences for Spectroscopic Properties of a Model Tetranuclear Silver(I)–Copper(I) Complex in the Solid State
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Thermally Stable and Deep Red Luminescence of Sr1–xBax[Mg2Al2N4]:Eu2+ (x = 0–1) Phosphors for Solid State and Agricultural Lighting Applications
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Agro-industrial byproducts for production of the immunosuppressant mycophenolic acid by Penicillium roqueforti under solid-state fermentation: Enhanced production by ultraviolet and gamma irradiation
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Guti Dianzixue Yanjiu Yu Jinzhan/Research & Progress of Solid State Electronics
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ELECTROCHEMICAL AND SOLID STATE LETTERS
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Properties of LiMnBO3 glasses and nanostructured glass-ceramics
PublikacjaPolycrystalline LiMnBO3 is a promising cathode material for Li-ion batteries. In this work, we investigated the thermal, structural and electrical properties of glassy and nanocrystallized materials having the same chemical composition. The original glass was obtained via a standard melt-quenching method. SEM and 7Li solid-state NMR indicate that it contains a mixture of two distinct glassy phases. The results suggest that the...
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A structural study of the hydrated and the dimethylsulfoxide, N, N´-dimet-hylpropyleneurea, acetonitryle, pyridine and N,N-dimethylthioformamide solvated nickel(II) ion in solution and solid state.
PublikacjaOznaczono strukturę w stanie stałym i ciekłym solwatowanego jonu niklu(II) w rozpuszczalnikach o różnych właściwościach donorowych: w wodzie, dimetylo-sulfotlenku, N,N`-dimetylopropylomoczniku, acetonitrylu, pirydynie i N,N-di-metylotioformamidzie. Stwierdzono, że nikiel(II) tworzy przede wszystkim sześciokoordynacyjne solwaty (woda, acetonitryl, DMTF). Jako solwat pięciokoordynacyjny istnieje tylko w dimetylopropylomoczniku....
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Cover Feature: Electronic Circular Dichroism Imaging (ECD i ) Casts a New Light on the Origin of Solid‐State Chiroptical Properties (Chem. Eur. J. 4/2022)
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IEEE JOURNAL OF SOLID-STATE CIRCUITS
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Imidazolium silanethiolates relevant to the active site of cysteineproteases. A cooperative effect in a chain of NH(+)...S(-) hydrogenbonds
PublikacjaThree imidazolium silanethiolates relevant to the active site of cysteine proteases have been synthesized and investigated by X-ray diffraction, IR spectroscopy and computational methods. As indicated by crystallographic and FT-IR data in the solid state, the transfer of proton from thiol to imidazole takes place and a thiolato-imidazolium ion pair is formed. The FT-IR spectra of crystalline imidazolium silanethiolates exhibit...
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Modeling of the alcohol dehydrogenase active site. Two different modes of alcohol binding in crystals of zinc and cadmium tri-tert-butoxysilanethiolates evidenced by X-ray diffraction and solid state vibrational spectroscopy
PublikacjaOpisano syntezę, struktury cząsteczkowe oraz widma FT-IR, 1H. 13C, 29Si, 113Cd NMR dziesięciu nowych, mieszanoligandowych kompleksów cynku i kadmu z ligandem tri-tert-butoksysilanotiolanowym i pochodnymi imidazolu. Za pomocą rentgenowskiej analizy strukturalnej i spektroskopii w podczerwieni udokumentowano dwa różne sposoby wiązania etanolu i metanolu w kryształach tych związków. Opisane kompleksy stanowią modele miejsca aktywnego...