Filtry
wszystkich: 943
wybranych: 789
-
Katalog
- Publikacje 789 wyników po odfiltrowaniu
- Czasopisma 21 wyników po odfiltrowaniu
- Konferencje 1 wyników po odfiltrowaniu
- Wydawnictwa 1 wyników po odfiltrowaniu
- Osoby 25 wyników po odfiltrowaniu
- Wynalazki 2 wyników po odfiltrowaniu
- Projekty 2 wyników po odfiltrowaniu
- Laboratoria 1 wyników po odfiltrowaniu
- Aparatura Badawcza 1 wyników po odfiltrowaniu
- Kursy Online 13 wyników po odfiltrowaniu
- Wydarzenia 1 wyników po odfiltrowaniu
- Dane Badawcze 86 wyników po odfiltrowaniu
Filtry wybranego katalogu
Wyniki wyszukiwania dla: aceton
-
Fuzzy Sets in the GIS Environment in the Location of Objects on the Surface of Water Bodies
PublikacjaThe issue presented here focuses on concerns about the localization of the object on water surface. The article shows how to facilitate localization process by applying mathematical solutions characterized by simplicity, rapid action and delivering credible results. The paper shows the results of background experiments, which enabled to collect technical parameters needed for conducting simulation testing. The research has been...
-
Participatory co-design approach for Greencoin educational tool shaping urban green behaviors.
PublikacjaOur main goal is to prepare assumptions of the Greencoin (GC) cybernetic system, implying pro-ecological attitudes and behavior of city residents. We used qualitative methods, including a literature review and action research -workshops attended by academics, representatives of private and business sectors, urban movements, municipal institutions’ partners, and residents. Our results defined functionalities of the GC, identified...
-
Synthesis of a state feedback controller for an averaging tank with variable filling
PublikacjaIn paper, a nonlinear averaging tank with variable filling is considered. The main purpose of this research work was the modelling and control system synthesis of an averaging tank. The control objectives included ensuring stability and zero steady-state error of the system and achieving settling time as short as possible, while maintaining a minimal overshoot. In order to achieve the intended purpose, firstly a mathematical model...
-
Strongly anisotropic surface elasticity and antiplane surface waves
PublikacjaWithin the new model of surface elasticity, the propagation of anti-plane surface waves is discussed. For the proposed model, the surface strain energy depends on surface stretching and on changing of curvature along a preferred direction. From the continuum mechanics point of view, the model describes finite deformations of an elastic solid with an elastic membrane attached on its boundary reinforced by a family of aligned elastic...
-
Chloroacridine derivatives as potential anticancer agents which may act as tricarboxylic acid cycle enzyme inhibitors
PublikacjaThe chloroacridines affect biological forms of melanoma in different ways. Amelanotic (Ab) melanoma (with inhibited melanogenesis and higher malignancy) was particularly sensitive to the action of the chloroacridines. The Ab melanoma cells died through apoptosis and through death without caspase activation. Diminished activity of TAC enzymes was noticed among Ab melanoma cells together with ATP/NAD depletion, especially in the...
-
Assessment of occupational risk in technical undertakings
PublikacjaSummary An undertaking - as a new and often single action - in its nature creates problems with predicting the realization of planned aims. Each undertaking bears some risk. Protection of a man who carries out an undertaking is even a more difficult task. The article offers a method of estimating potential risks connected with labour conditions on the basis of risk evaluation at the stage of undertaking planning.Streszczenie Realizacja...
-
Managing change through team building in the context of organizing Erasmus+ mobility projects at the Gdańsk Tech Library
PublikacjaThe article discusses managing change through team building in the context of organizing Erasmus+ mobility projects in the Gdańsk University of Technology Library as the main strategy which contributed to the projects’ success. The authors describe the projects realized in the years 2017-2019 within the scope of the Erasmus+ programme. The organizers decided to take a responsible and active approach towards managing change and...
-
Exposure to cooking emitted volatile organic compounds with recirculating and extracting ventilation solutions
PublikacjaEnergy-efficient urban development leads to the compact design of apartments. Recirculating ventilation solutions are an attempt to minimize the space required for ventilation ducting, but more data on their performance are needed. Cooking is a major source of volatile organic compounds (VOCs) emissions. It is necessary to assess how well recirculating kitchen hoods perform in reducing the residents' exposure to cooking fumes compared...
-
Dokumentacja oraz wnioski z badań belek hybrydowych dla firmy H+H Polska sp. z o.o.
PublikacjaOpracowanie 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...
-
Testing of performance properties of asphalt mixes for thin wearing courses.
PublikacjaPrzedstawiono wyniki badań następujących cech mieszanek mineralno asfaltowych: odporność na starzenie, oddziaływanie wody i mrozu, koleinowanie i oddziaływanie niskich temperatur. W badaniach zastosowano 2 typy mieszanek: beton asfaltowy o nieciągłym uziarnieniu i mastyks grysowy SMA. Wykorzystano 4 rodzaje asfaltów: 1 niemodyfikowany i 3 modyfikowane polimerami. Stwierdzono że wszystkie mieszanki są porównywalnie odporne na starzenie,...
-
Efektywność działania wapna hydratyzowanego w betonie asfaltowym
PublikacjaW artykule przedstawiono ocenę efektywności działania wapna hydratyzowanego w betonie asfaltowym na podstawie analizy wyników badań laboratoryjnych i terenowych z odcinka doświadczalnego. Wykonano badania odporności na działanie wody i mrozu, odporności na deformacje trwałe oraz oceny stanu nawierzchni, równości poprzecznej i szorstkości odcinka doświadczalnego, gdzie w dwóch sekcjach odpowiednio wbudowano beton asfaltowy z dodatkiem...
-
Mrówczan sodu z nowym pakietem inhibitorów korozji jako ekologiczny środek do odladzania infrastruktury lotniczej.
PublikacjaPrzedstawiono wyniki badań korozji kadmowej powłoki na stali oraz korozji po zanurzeniu stopów metali w mrówczanie sodu z nowym pakietem inhibitorów korozji, zawierającym synergiczną kompozycję poliasparaginianu sodu oraz imidazolu. Ponadto wyznaczono zdolność penetracji lodu przez badany układ. Właściwo- ści opracowanej kompozycji odladzającej porównano z właściwościami środków dostępnych na rynku. Uzyskane wyniki wskazują, że otrzymany...
-
Modelowanie reorganizacji ruchu w transporcie szynowym zwiększające efektywne wykorzystanie energii z hamowania odzyskowego
PublikacjaWe wstępie artykułu przedstawiono metody wykorzystania energii elektrycznej odzyskanej w procesie hamowania elektrodynamicznego. Szczególną uwagę zwrócono na metodę zwrotu odzyskanej energii do sieci jezdnej i wykorzystania jej przez inne pojazdy szynowe, której efektywne zastosowanie niejednokrotnie wymaga reorganizacji ruchu. W pracy przeanalizowano opisany w literaturze model organizacji ruchu w transporcie szynowym, który uwzględnia...
-
Does the chemical modification of Nystatin A1 affect the drug's ability to overcome the multidrug resistance of fungi?
PublikacjaAlthough the contemporary medicine keeps moving forward, disseminated infections caused by fungal pathogens are an emerging challenge. The dramatic rise of fungal diseases, especially the most life-threatening systemic mycoses is associated with a permanently growing number of immunodeficient patients. Undoubted difficulties in the treatment of fungal infections are caused by lack of highly effective and selective antifungal drugs,...
-
Kształtowanie mikrośrodowiska jako miejsca wspólnoty.
PublikacjaThe work concerns the field of architecture and covers shaping housing environment. It is an attempt to reactivate a category of neighbourly community and present it from a new perspective, namely as an effect of a conscious cooperation of the architect and future inhabitants. Its essence is the idea of microenvironment, perceived as a place of housing community. The following are involved:- application of the idea of the place...
-
The effect of aggregate characteristics on the fracture behaviour of fine-grained concrete under tensile loading
PublikacjaArtykuł przedstawia analizę wpływu kruszywa na zjawisko pękania drobnoziarnistego betonu podczas quasi-statycznego trzypunktowego zginania. Beton został opisany jako stochastyczny i niejednorodny materiał trzyfazowy. Dwuwymiarowe obliczenia numeryczne dla betonowych belek z nacięciem wykonano metodą elementów skończonych stosując izotropowy materiałowy model z degradacją sztywności rozszerzony o długość charakterystyczną mikrostruktury...
-
Badania właściwości eksploatacyjnych betonu asfaltowego o nieciągłym uziarnieniu i mastyksu grysoweo SMA do cienkich warstw ścieralnych
PublikacjaArtykuł przedstawia wyniki badań właściwości mieszanek mineralno-asfaltowych przeznaczonych do cienkich warstw ścieralnych. Wykonano badania odporności mieszanek na: starzenie, działanie wody i mrozu, deformacje trwałe oraz na spękania niskotemperaturowe. Przebadano 2 rodzaje mieszanek: beton o nieciągłym uziarnieniu i mastyks grysowy SMA. Zastosowano 4 rodzaje asfaltów: 1 zwykły, niemodyfikowany i 3 modyfikowane. Stwierdzono,...
-
Jeffreys heat conduction in coupled semispaces subjected to interfacial heating
PublikacjaA Jeffreys heat conduction problem for coupled semispaces subjected to the action of an interfacial heat source was defined. An analytical solution of the problem was derived for a polynomial specific power of the heat source using the Laplace transform approach. The asymptotic and parametric analysis was performed for different ratios of thermal conductivities , thermal diffusivities , thermal relaxation times and coefficients...
-
Respiratory system modelling and simulation basing on the forced oscilation technique
PublikacjaConventional methods of testing lung functioning demand a specific respiratory action of the patient. In contrast, the forced oscillation technique (fot) provides measurements obtained with a minimal cooperation of the subject. The aim of this study is to verify the usefulness of the forced oscillation technique modelling in respiratory system diagnosing. in order to do it two models of fot measurements have been considered: the...
-
Multimode systems of nonlinear equations: derivation, integrability, and numerical solutions
PublikacjaWe consider the propagation of electromagnetic pulses in isotropic media taking a third-order nonlinearityinto account. We develop a method for transforming Maxwell's equations based on a complete set ofprojection operators corresponding to wave-dispersion branches (in a waveguide or in matter) with thepropagation direction taken into account. The most important result of applying the method is a systemof equations describing the...
-
Fast-SEC coupled to ICP-MS for selected metal determination and its stability over time in polish wine
PublikacjaMetal ions contribute to the wine browning (as reaction catalysts), turbidity (in complexes), and astringency (due to inter- action with tannins). Being aware that bioavailability and metabolism of metal ions in the human body are strictly related with their concentration and the form they occur it is important to monitor not only the total content of metals but also their speciation. Thus, we can obtain more information about...
-
Analysis of the Environmental Impact of the Hull Construction of a Small Vessel Based on LCA
PublikacjaIn recent years, issues related to the impact of human activity on the natural environment have become pressing, and the challenge of global warming necessitates immediate action. To support environmental protection efforts, it has become imperative to adopt a broader perspective when evaluating various products and systems. A valuable tool for such assessments is a life cycle assessment (LCA), which enables a comprehensive analysis...
-
Cancer immune escape: the role of antigen presentation machinery
PublikacjaThe mechanisms of antigen processing and presentation play a crucial role in the recognition and targeting of cancer cells by the immune system. Cancer cells can evade the immune system by downregulating or losing the expression of the proteins recognized by the immune cells as antigens, creating an immunosuppressive microenvironment, and altering their ability to process and present antigens. This review focuses on the mechanisms...
-
"Food Oxidants and Antioxidants" Book review
PublikacjaThe book is the 14th title in the CRC series Chemical and Functional Properties of Food Components, edited since 2001 by Zdzisław E. Sikorski. The editor of the book, a professor in the University of Łódź and member of the Polish Academy of Sciences, is an internationally recognized authority in biochemistry and biophysics of reactive oxygen species. In Poland Grzegorz Bartosz has a reputation as the author of his most interesting...
-
Apparent molar volumes and compressibilities of tetrabutyl-ammonium bromide in organic solvents
PublikacjaW oparciu o pomiary gęstości i szybkości rozchodzenia się dźwięku w niewodnych roztworach bromku czterobutyloamoniowego obliczono pozorne objętości molowe w przedziale temperatur od 288,15 K do 323,15 K oraz pozorne ściśliwości w temperaturze 298,15 K. Graniczne wielkości pozornej objętości molowej i ściśliwości wyznaczono w oparciu o równanie Massona, jak i równanie Redlicha, Rosenfelda i Mayera oraz z wykorzystaniem teorii Pitzera....
-
Hydroperoxyl radical and formic acid formation from common DNA stabilizers upon low energy electron attachment
Publikacja2-Amino-2-(hydroxymethyl)-1,3-propanediol (TRIS) and ethylenediaminetetraacetic acid (EDTA) are key components of biological buffers and are frequently used as DNA stabilizers in irradiation studies. Such surface or liquid phase studies are done with the aim to understand the fundamental mechanisms of DNA radiation damage and to improve cancer radiotherapy. When ionizing radiation is used, abundant secondary electrons are formed...
-
The Effect of Sterols on Amphotericin B Self-Aggregation in a Lipid Bilayer as Revealed by Free Energy Simulations
PublikacjaAmphotericin B (AmB) is an effective but toxic antifungal drug, known to increase the permeability of the cell membrane, presumably by assembling into transmembrane pores in a sterol-dependent manner. The aggregation of AmB molecules in a phospholipid bilayer is, thus, crucial for the drug’s activity. To provide an insight into the molecular nature of this process, here, we report an atomistic molecular dynamics simulation study...
-
Fecal indicators resistance to antimicrobial agents present in municipal wastewater
PublikacjaIn this study removal rate of six antimicrobial compounds (belonging to folate pathway inhibitors and macrolides class) was analyzed in processes of local wastewater treatment plant (WWTP) together with susceptibility patterns of erythromycin (E) resistant Enterococcus spp. and trimethoprim/sulfamethoxazole (SXT) resistant Escherichia coli. According to the obtained data, six of tested antimicrobial agents, namely erythromycin,...
-
A Model-Driven Solution for Development of Multimedia Stream Processing Applications
PublikacjaThis paper presents results of action research related to model-driven solutions in the area of multimedia stream processing. The practical problem to be solved was the need to support application developers who make their multimedia stream processing applications in a supercomputer environment. The solution consists of a domain-specific visual language for composing complex services from simple services called Multimedia Stream...
-
Selection of derivatisation agents for chlorophenols determination with multicriteria decision analysis
PublikacjaThe paper shows very systematic method of selection of derivatisation agents for a given group of analytes. In this study 8 derivatisation agents are assessed for their capability to derivatise 8 chlorophenols. Multicriteria decision analysis is used to combine many objectives of derivatisation agents selection into single, easy to be interpreted numerical value. Three basic analyses were performed to obtain rankings with the aims...
-
Making agile retrospectives more awesome
PublikacjaAccording to the textbook [23], Scrum exists only in its entirety, where every component is essential to Scrum’s success. However, in many organizational environments some of the components are omitted or modified in a way that is not aligned with the Scrum guidelines. Usually, such deviations result in missing the full benefits of Scrum [24]. Thereby, a Scrum process should be frequently inspected and any deviations should be...
-
THE PANTOGRAPH AND ITS GEOMETRIC TRANSFORMATIONS - A FORMER POPULAR TOOL FOR COPYING AND SCALING
PublikacjaDevelopment of digital technology has resulted in significant transformations of designer workshops. Computer applications replaced the previously existing tools and methods for drawing up of projects. Professional, sophisticated drawing instruments and tools for manual plotting, as well as basic drawing aids, have gradually fallen into oblivion and become relicts of a bygone era - the objects of collectors' interest. Gdansk University...
-
Electrochemical investigations on corosivity of de-icing liquids for railway infrastructure
PublikacjaThe paper presents the results of electrochemical tests of the de-icing fluid for railway infrastructure. DC and AC electrochemical tests were performed to determine the corrosion rates of structural steel, cast iron and aluminium in the newly produced fluid. The results were compared with the corrosion rates of the same materials in the fluid without corrosion inhibitors. The obtained test results indicate a low corrosion risk...
-
Impact of the Alkyl Side Chains of Cations and Anions on the Activity and Renaturation of Lysozyme: A Systematic Study Performed Using Six Amino‐Acid‐Based Ionic Liquids
PublikacjaThe impact of the structure of ionic liquid on the activity and renaturation of lysozyme from the hen egg white (HEWL) was investigated. A set of six ionic liquids based on morpholinium cation and N-acylated amino acids as anions were exploited. The matrix used was based on two homologous series: one with N-acetyl-L-valinate [Val] as a common anion and morpholinium cation with a different number of carbon atoms in the n-alkyl chain...
-
Molecular Imaging and Nanotechnology—Emerging Tools in Diagnostics and Therapy
PublikacjaPersonalized medicine is emerging as a new goal in the diagnosis and treatment of diseases. This approach aims to establish differences between patients suffering from the same disease, which allows to choose the most effective treatment. Molecular imaging (MI) enables advanced insight into molecule interactions and disease pathology, improving the process of diagnosis and therapy and, for that reason, plays a crucial role in personalized...
-
Tire/Road Noise On Poroelastic Road Surfaces - Results Of Laboratory Measurements
PublikacjaTire/road noise is the most important part of traffic noise for medium and high speed driving both in the case of passenger cars and trucks. The potential to make modification of tires that significantly reduce tire/road noise in nearly over, at least for conventional tires so the only promising action is to improve road pavements. One of the innovative solutions is poroelastic road pavement (PERS) that reduces airflow related...
-
Mono- and bimetallic (Pt/Cu) titanium(IV) oxide photocatalysts. Physicochemical and photocatalytic data of magnetic nanocomposites’ shell
PublikacjaSurface modification of titania with noble and semi-noble metals resulted in significant enhancement of photocatalytic activity. Presented data, showing the photocatalytic properties of TiO2-M (where M is Pt and/or Cu) photocatalysts were further used as Fe3O4@SiO2/TiO2-M magnetic nanocomposites shells in "Mono- and bimetallic (Pt/Cu) titanium(IV) oxide core-shell photocatalysts with Vis light activity and magnetic separability"...
-
Reactive extrusion of biodegradable aliphatic polyesters in the presence of free-radical-initiators: A review
PublikacjaNowadays, growing attention is being paid to the environment and sustainability, what fully justified research works focused on modification of biodegradable polymers and their composites. In this field of research reactive extrusion seems to be the most promising approach, which fits well to sustainable development strategy. In In the present work, the in-situ modification of biodegradable aliphatic polyesters and the compatibilization...
-
Failures and a concept of corrosion protection system for spiral classifiers at KGHM Polska Miedź S.A. Ore Concentration Plant
PublikacjaThe Ore Concentration Plant, where the process of flotation is carried out as well as the final production of copper concentrate, plays a key role in the entire production line of KGHM Polska Miedź S.A. Majority of operations related to the run-of-mine preparation to copper flotation enrichment are carried out in a water environment. The maintaining of production process continuity requires to pursue minimisation of many production...
-
The Neural Knowledge DNA Based Smart Internet of Things
PublikacjaABSTRACT The Internet of Things (IoT) has gained significant attention from industry as well as academia during the past decade. Smartness, however, remains a substantial challenge for IoT applications. Recent advances in networked sensor technologies, computing, and machine learning have made it possible for building new smart IoT applications. In this paper, we propose a novel approach: the Neural Knowledge DNA based Smart Internet...
-
Influence of grout proportions on modulus of elascity of two-stage concrete
PublikacjaOmówiono badania doświadczalne przeprowadzone dla betonu dwuetapowego. Beton wykonano z kruszywa otoczakowego przy zastosowaniu trzech różnych proporcji w/c i c/p. Na drodze statystycznej opracowano prosty wzór umożliwiający wstępne szacowanie wartości siecznego modułu Younga. Ponieważ metoda dwuetapowa pozwala na zachowanie kontaktu pomiędzy poszczególnymi elementami kamiennego szkieletu wypełniającego formę, wytrzymałość uzyskanego...
-
Wpływ niszczącego oddziaływania wody i mrozu na trwałość zmęczeniową betonu asfaltowego
PublikacjaArtykuł przedstawia badania zmęczeniowe betonu asfaltowego poddanego niszczącemu oddziaływaniu wody i mrozu. Laboratoryjną symulację oddziaływania wody i mrozu oparto na oryginalnej i zmodyfikowanej procedurze normy AASHTO T283. Modyfikacja procedury polegała na wprowadzeniu zamiast 1 cyklu zamrażania i odmrażania 50 i 150 cykli. Badania zmęczeniowe betonu asfaltowego wykonano w aparacie NAT w schemacie pośredniego rozciągania....
-
Stress strain relations and modulus of elascity of two stage concrete.
PublikacjaOmówiono badania doświadczalne przeprowadzone dla betonu dwuetapowego. Beton wykonano z trzech różnych kruszyw przy zastosowaniu trzech różnych proporcji w/c i c/p. Wyznaczono związki pomiędzy naprężeniami i odkształceniami. Na drodze statystycznej opracowano wzory umożliwiające wstępne szacowanie wartości siecznego modułu Younga. Ponieważ metoda dwuetapowa pozwala na zachowanie kontaktu pomiędzy poszczególnymi elementami kamiennego...
-
Badania cech reologicznych mieszanek mineralno-asfaltowych podczas pełzania przy zginaniu w niskich temperaturach.
PublikacjaReferat przedstawia metodykę oraz wyniki badań cech reologicznych mieszanek mineralno-asfaltowych w zakresie temperatur od -10 st C do +20 st C. W badaniach wykorzystano metodę zginania belek obciążonych stałą siłą skupioną przyłożoną w środku rozpiętości belki. Zastosowano dwa typy mieszanek mineralno-asfaltowych: beton asfaltowy z asfaltem zwykłym i mastyks grysowy SMA z asfaltem modyfikowanym. Do wyznaczenia cech reologicznych...
-
A novel DEM-based pore-scale thermo-hydro-mechanical model
PublikacjaW warunkach nieizotermicznych ruch płynu w układzie porów i kapilar betonu jest silnie sprzężony z przenoszeniem ciepła. W takich warunkach pory i spękania ułatwiają wnikanie do betonu zewnętrznych czynników agresywnych, które degradują zarówno beton, jak i zbrojenie. Opracowano innowacyjny model termo-hydro-mechaniczny oparty na modelu DEM, aby szczegółowo śledzić frakcje cieczy/gazów w porach i pęknięciach pod kątem ich różnej...
-
Hydration of aprotic donor solvents studied by means of FTIR spectroscopy
PublikacjaThe paper attempts to explain the mutual influence of nonpolar and electron-donor groups on solute hydration,the problem of big importance for biological aqueous systems. Aprotic organic solvents have been used asmodel solutes, differing in electron-donating power. Hydration of acetonitrile, acetone, 2-butanone, andtriethylamine has been studied by HDO and (partially) H2O spectra. The quantitative version of...
-
Organic Supercritical Thermodynamic Cycles with Isothermal Turbine
PublikacjaOrganic Rankine cycles (ORC) are quite popular, but the overall efficiencies of these plants are rather very low. Numerous studies have been conducted in many scientific centers and research centers to improve the efficiency of such cycles. The research concerns both the modification of the cycle and the increase in the parameters of the medium at the inlet to the turbine. However, the efficiency of even these modified cycles rarely...
-
Copper(I) iodide ribbons coordinated with thiourea derivatives
PublikacjaTwo products of the reactions of CuI with 1-benzoyl-3-(4-bromophenyl)thiourea and with 1-benzoyl-3-(2-iodophenyl)thiourea have been obtained and characterized, namely poly[[[1-benzoyl-3-(4-bromophenyl)thiourea-κS]-µ3-iodidocopper(I)] acetone hemisolvate], {[CuI(C₁₄H₁₁BrN₂OS)]‧0.5C₃H₆O}ₙ, and poly-[µ₄-iodido-µ₃-iodido-[N-(benzo[d]thiazol-2-yl)benzamide-κN]dicopper(I)], [Cu₂I₂(C₁₄H₁₀N₂OS)]ₙ. Their structures, determined by single-crystal...
-
Volatile Organohalogen Compounds Determination with Dispersive Liquid-Liquid Microextraction Applying Solvent Lighter than Water
PublikacjaBackground: Volatile organohalogen compounds (VOX) are a group of environmental pollutants that risk the quality of drinking water. These compounds are characterized by certain acute and chronic toxicities, possessing mutagenic properties. Because of these potential risks factors that these compounds cause, the maximum allowable concentrations (MACs) have been established by respective organizations. The abundance of VOX, their...
-
Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublikacjaWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...