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Search results for: QUANTUM MATTER CHEMISTRY
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Izabela Sinkiewicz dr inż.
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Toward Mechanosynthesis of Diamondoid Structures: VI. Quantum-Chemical Molecular Dynamics Comparison of Conditions for the STM Tip Driven Mechanosynthesis on Hydrogenated Si(111), Si(110) and Si(100) Surfaces.
Publicationmożliwość prototypowania przejściowych generacji nano-urządzeń otrzymanych drogą pozycjonowanej mechanosyntezy za pomocą stm wyposażonego w ostrze typu swcnt są analizowane metodą kwantowo-chemicznej dynamiki molekularnej. proponowana strategia syntezy polega na insercji atomów si oraz cząsteczek sih2 we wiązania si-h na uwodornionej powierzchni si(111), si(110) oraz si(100) kryształu krzemu. rezultaty modelowania sugerują, że...
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NATURAL DEEP EUTECTIC SOLVENTS IN EXTRACTION PROCESS
PublicationDeveloping new, eco-friendly solvents which would meet technological and economic demands is perhaps the most popular aspects of Green Chemistry. Natural deep eutectic solvents (NADES) fully meet green chemistry principles. These solvents offer many advantages including biodegradability, low toxicity, sustainability, low costs and simple preparation. This paper provides an overview of knowledge regarding NADES with special emphasis...
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Progress on Chemistry and Application of Chitin and Its Derivatives
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World Research Journal of Applied Medicinal Chemistry
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Acta Crystallographica Section C-Structural Chemistry
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International Journal of Research in Chemistry and Environment (IJRCE)
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Annals of West University of Timisoara Series of Chemistry
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International Research Journal of Pure and Applied Chemistry
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Central Nervous System Agents in Medicinal Chemistry
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Immunology, Endocrine and Metabolic Agents in Medicinal Chemistry
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Taiwanese Journal of Agricultural Chemistry and Food Science
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JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY
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Journal of the Korean Society for Applied Biological Chemistry
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Journal of the Turkish Chemical Society, Section A: Chemistry
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Chemistry Africa-A Journal of the Tunisian Chemical Society
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Witold Przychodzeń dr hab. inż.
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Lidia Jasińska-Walc dr hab. inż.
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Anna Kuczyńska-Łażewska dr inż.
PeopleAnna Kuczyńska-Łażewska graduated from the Faculty of Chemistry of the Gdańsk University of Technologyin the field of Chemistry (1st degree) and Environmental Protection Technologies, specialization: environmental protection systems (2nd degree). She completed an internship at the Leibniz-Institut für Katalyse in Rostock. She defended her doctorate in recycling of 1st and 2nd generation modules in 2018 at the Department of Energy...
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A derivatisation agent selection guide
PublicationThe development of new tools for providing high quality information in a cost-effective and expeditious way is one of the main aims of analytical chemistry. Remarkably, the introduc- tion of the 12 principles of green chemistry paved the way forward for the development of analytical methodologies that are, ideally, inherently safe for the operator and the environ- ment, with the least possible consumption of energy and chemicals,...
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Toward Mechanosynthesis of diamondoid structures: III. Quantum-chemical study of silylene molecule and silicon atom transfer mechanism from caped SWCNT tip to the reaction center on a hydrogenated Si(111) surface
PublicationOpublikowana wcześniej (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43-58) strategia mechanosyntezy struktur krzemu na uwodornionej płaszczyźnie Si(111) została poszerzona poprzez uwzględnienie ostrza w postaci zamkniętej SWCNT jako urządzenia kontrolującego położenie cząsteczki sililenu oraz atomu krzemu.
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Aneta Panuszko dr hab.
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AGREE—Analytical GREEnness Metric Approach and Software
PublicationGreen analytical chemistry focuses on making analytical procedures more environmentally benign and safer to humans. The amounts and toxicity of reagents, generated waste, energy requirements, the number of procedural steps, miniaturization, and automation are just a few of the multitude of criteria considered when assessing an analytical methodology’s greenness. The use of greenness assessment criteria requires dedicated tools. We...
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CLINICAL CHEMISTRY
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Open Chemistry
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Environmental Chemistry
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Hasse diagram as a green analytical metrics tool: ranking of methods for benzo[a]pyrene determination in sediments
PublicationThis study presents an application of the Hasse diagram technique (HDT) as the assessment tool to select the most appropriate analytical procedures according to their greenness or the best analytical performance. The dataset consists of analytical procedures for benzo[a]pyrene determination in sediment samples, which were described by 11 variables concerning their greenness and analytical performance. Two analyses with the HDT...
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IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS
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Ecological Chemistry and Engineering A - Chemia i Inżynieria Ekologiczna A
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CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
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Biochemistry Moscow-Supplement Series B-Biomedical Chemistry
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Anti-Inflammatory and Anti-Allergy Agents in Medicinal Chemistry
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Journal of Macromolecular Science Part A-Pure and Applied Chemistry
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TALANTA.The International Journal of Pure and Applied Analytical Chemistry
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Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Open Research DataHigh accuracy ab initio potential energy curves (1tSigma+, 2sSigma+, 1tPi), electronic transition dipole moment function (1tSigma+ - 1tPi), and spin-orbit coupling (2sSigma+ - 1tPi) have been calculated for the NaRb molecule. The time-dependent excitation and dissociation processes in the polar alkali diatomic NaRb molecule and the quantum properties...
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Daria Kowalkowska-Zedler dr inż.
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Application of molecularly imprinted polymers in analytical chiral separations and analysis
PublicationOver the last two decades the process of development and application of a new types of molecular imprinted polymer (MIP) sorbents in the field of analytical chemistry have been widely described in the literature. One of the new trends in analytical chemistry practice is the use of new types of MIP sorbents as specific sorption materials constituting the stationary phase in advanced separation techniques. The following review paper...
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How can analysts use multicriteria decision analysis?
PublicationProper decision making in multifacitated situation is very challenging task. It is especially difficult if there are many alternatives and criteria that are often contradictory. Analytical chemistry and related sciences involve many situations where decisions on complex problems are made. The support tools may be the use of MCDA (Multi-criteria Decision Analysis) algorithms. They formalize the decision process, make it transparent...
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Application of TOPSIS for Selection and Assessment of Analytical Procedures for Ibuprofen Determination in Wastewater
PublicationThis paper describes the possible implementation of the Technique for Order Preference by Similarity to Ideal Solution (TOPSIS) as green analytical chemistry metrics tools. TOPSIS is one of the multi-criteria decision analysis (MCDA) tools that is applied in the selection of the best alternative from many possible. In this case we have applied it to assess the nineteen analytical procedures for ibuprofen determination in wastewater...
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Overview of the three multicriteria approaches applied to a global assessment of analytical methods
PublicationCritical and global evaluation of analytical methods should be one of the primary goals in analytical chemistry. A holistic approach, however, requires a look at the varied features: commonly discussed validation criteria, often underrated practical and economic aspects, and typically overlooked compliance with the principles of green analytical chemistry. Carrying out such an assessment in a critical and transparent way is extremely...
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Aleksandra Ziółkowska dr inż.
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Anna Ciborska dr inż.
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Trends in the new generation of green solvents in extraction processes
PublicationAnalytical chemistry, like other scientific fields, has undergone a number of changes to make it more consistent with the concept of sustainable development. Among the various steps of chemical analysis, without a doubt, sample preparation is the bottleneck in regard to following a green protocol, especially in terms of solvent consumption. Therefore, many attempts have been made to improve the environmental friendliness of this...
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The spontaneous electron emission and rotational predissociation lifetimes of the diatomic silver anion
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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CLICK 'n' Sleep: Light-Switch Behavior of Triazole-Containing Tris(bipyridyl)ruthenium Complexes
PublicationA set of RuII complexes incorporating triazole subunits are presented. They show a solvent-dependent light-switch effect. Theoretical calculations revealed the excited states involved in the emission process. The findings are highly important for future design of light-switch sensors and suggest a severe restriction for functional photomolecular devices synthesized by CLICK chemistry.
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Karol Biernacki dr inż.
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Anna Ordyszewska dr inż.
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Eu2Mg3Bi4: Competing Magnetic Orders on a Buckled Honeycomb Lattice
PublicationThe honeycomb lattice and its derived variants provide information on modeling and designing quantum magnets. A novel magnetic material, Eu2Mg3Bi4, which stabilizes in a previously unknown buckled honeycomb lattice, was discovered by high-pressure and high-temperature methods. We report here on the synthesis exploration of pure single crystals, structural determination of the buckled honeycomb lattice of europium moments, and experimental observation...
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Monte Carlo simulations
e-Learning CoursesVirtual platform for the project "Monte Carlo simulations of energetic electrons and positrons in condensed matter".
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IRANIAN JOURNAL OF CHEMISTRY & CHEMICAL ENGINEERING-INTERNATIONAL ENGLISH EDITION
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