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Wyniki wyszukiwania dla: HARTREE-FOCK EXCHANGE

Wyniki wyszukiwania dla: HARTREE-FOCK EXCHANGE

  • The experimental evaluation and modeling of SBR removing nutrients under varied aeration conditions

    Publikacja

    - Rok 2015

    Sequencing batch reactors (SBR) are mainly characterized by sequential process phases of fill, react, settle, decant and idle periods that allow considerable flexibility in the design and operation in different conditions. This flexibility and the unique features of SBRs used to wastewater treatment by activated sludge systems operated in laboratory scale, allow not only conducting experiments for the standard conditions but also...

  • Framework for gamification of specialized subjects within engineering studies

    Publikacja

    - Rok 2017

    Gamification is a relatively new term forged along with the occurrence of new information technology, especially easy access to internet and smartphones. Gamification is a use of game mechanics, to modify the behavior of people in non-games situations to increase the involvement of individuals. The method is based on the pleasure that comes from overcoming the obstacles to reach next achievable level, which consists of challenges,...

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  • Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory

    Publikacja
    • J. Dziedzic
    • A. Bhandari
    • L. Anton
    • C. Peng
    • J. Womack
    • M. Famili
    • D. Kramer
    • C. Skylaris

    - Journal of Physical Chemistry C - Rok 2020

    We present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...

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  • Study of Integer Spin S = 1 in the Polar Magnet β-Ni(IO3)2

    Publikacja

    - MOLECULES - Rok 2021

    Polar magnetic materials exhibiting appreciable asymmetric exchange interactions can potentially host new topological states of matter such as vortex-like spin textures; however, realizations have been mostly limited to half-integer spins due to rare numbers of integer spin systems with broken spatial inversion lattice symmetries. Here, we studied the structure and magnetic properties of the S = 1 integer spin polar magnet β-Ni(IO3)2...

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  • Leadership, culture, intellectual capital and knowledge processes for organizational innovativeness across industries: the case of Poland

    Purpose – This study aims to present the overview of intellectual capital creation micro-mechanisms concerning formal and informal knowledge processes. The organizational culture, transformational leadership and innovativeness are also included in the investigation as ascendants and consequences of the focal relation of intellectual capital and knowledge processes. Design/methodology/approach – Based on a sample of 1,418 Polish...

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  • Family business succession – the practical or also theoretical problem. Bibliometric analysis

    Publikacja

    - Rok 2020

    Family businesses, in various forms, have existed since societies began to be created. However, family business research has a decidedly shorter tradition. In favorable conditions, family enterprises develop for many generations, and their fate is intertwined with the fate of the families. The topics of family businesses are raised by researchers around the world. Estimates regarding the number of family businesses are a frequent...

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  • 15th Conference on Calorimetry and Thermal Analysis

    Wydarzenia

    08-09-2024 16:30 - 12-09-2024 13:30

    We've updated the registration deadline because we know how easy it is you can lose track of time! Check your calendar and register for CCTA15. This is the last chance - deadline: July 15, 2024 (details). We kindly inform you that posters should be prepared in size B1 (707 x 1000 mm). Soon, we will make available a template on the CCTA15 website...

  • INWESTYCJE ALTERNATYWNE – OPŁACALNOŚĆ A RYZYKO

    Publikacja

    - Rok 2015

    W rozprawie określono pojęcie oraz miejsce inwestycji alternatywnych na rynku inwestycyjnym. Wskazane zostały atrybuty tych inwestycji. Zbudowano klasyfikację inwestycji alternatywnych w podziale na kategorie oraz typy wraz ze wskazaniem powiązań pomiędzy poszczególnymi produktami. Dokonano autorskiego podziału analizowanych inwestycji na aktywne i pasywne. Zbadano stopę zwrotu i ryzyko pięćdziesięciu inwestycji alternatywnych,...

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  • Sklepy typu pop-up – od Guerilla Stores marki Comme de Garcons przez unikalne doświadczenie zakupowe Bikini Berlin do ... ?

    Obiekty, sklepy typu pop- up pojawiały się w miastach ponad dziesięć lat temu. Otwierane są na krótki okres czasu w celu promocji marki i nawiązania bezp o- średniego kontaktu z odbiorcą. Pop -up’y różnią się od tradycyjnych, stacjona r- nych sklepów rodzajem prowadzonej w nich działalności, mającym na celu przede wszystkim promocję marki. Pierwsze tymczasowe obiekty, tzw. Guerilla stores , stworzone zostały w 2004 roku...

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  • Cathodic Activation of Titania-Fly Ash Cenospheres for Efficient Electrochemical Hydrogen Production: A Proposed Solution to Treat Fly Ash Waste

    Publikacja
    • T. Altalhi
    • A. Mezni
    • M. Ibrahim
    • M. Refet
    • A. Gobouri
    • A. Safklou
    • A. Mousli
    • M. Attia
    • P. Boruah
    • M. Das... i 3 innych

    - Catalysts - Rok 2022

    Fly ash (FA) is a waste product generated in huge amounts by coal-fired electric and steam-generating plants. As a result, the use of FA alone or in conjunction with other materials is an intriguing study topic worth exploring. Herein, we used FA waste in conjunction with titanium oxide (TiO2) to create (FA-TiO2) nanocomposites. For the first time, a cathodic polarization pre-treatment regime was applied to such nanocomposites...

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  • DETERMINATION OF SURFACTANTS IN ENVIRONMENTAL SAMPLES. PART II. ANIONIC COMPOUNDS

    Surfactants (SAA) with negative charge of polar group are named as anionic compounds. They are main constituent of most products containing synthetic surfactants. The linear alkylbenzene sulfonates (LAS), alkyl ethoxysulfates (AES) and alkyl sulfates (AS) are typically applied from this class of compounds. Those surfactants are ingredients of household detergents and cleaners, laundry detergents, cosmetic. Moreover they can be...

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  • Cathodic activation of synthesized highly defective monoclinic hydroxyl‐functionalized ZrO2 nanoparticles for efficient electrochemical production of hydrogen in alkaline media

    Publikacja

    - INTERNATIONAL JOURNAL OF ENERGY RESEARCH - Rok 2020

    The high electrochemical stability of Zirconia (ZrO2) at high potentials strongly suggested it as an alternative to carbon supports, which experience reduced efficiency due to some corrosion problems particularly during prolonged electrocatalysis activity. However, the use of ZrO2 was limited by its low electrical conductivity and surface area. In this work, we developed a methodology for synthesizing monoclinic ZrO2 NPs with increased...

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  • Development of biocompatible iron oxide-silicon oxide core-shell nanoparticles as subcellular delivery platform for glucosamine-6-phosphate synthase inhibitors

    Publikacja

    - Rok 2018

    In order to develop the preparation of iron oxide-silica coreshell nanoparticles (CSNPs), thesis deeply explores the cetyltrimethylammonium (CTA+) directed silica coating methods of the oleic-acid capped iron oxide nanoparticles (OA-IONPs) initialized under near-neutral pH conditions. It is demonstrated that the initial alkaline hydrolysis of ethyl acetate in the presence of CTA+ and OA-IONPs induces an unusual ligand exchange...

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  • PROJEKT STANDARDÓW DOSTĘPNOŚCI DLA OSÓB ZE SZCZEGÓLNYMI POTRZEBAMI DO TRANSPORTOWYCH WĘZŁÓW PRZESIADKOWYCH

    W artykule opisano projekt standardów dostępności zintegrowanych węzłów przesiadkowych, które zawierają spójne dla wszystkich elementów ZWP z uwzględnieniem potrzeb i wymagań osób ze szczególnymi potrzebami zasady projektowania, budowy i utrzymania oraz minimalne parametry kluczowych dla samodzielnej realizacji podróży przez osoby ze szczególnymi potrzebami rozwiązań i udogodnień. Przedstawione standardy zawierają zasady i wymagania...

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  • Inter Applied Chemistry Programme 5 Intorduction to hazard assessment of chemicals Marta Markiewicz

    Kursy Online
    • A. Głowacz-Różyńska
    • M. Tobiszewski
    • C. Jungnickel
    • P. Filipkowski

    Inter Applied Chemistry Programme 5 Intorduction to hazard assessment of chemicals Marta Markiewicz Marta Markiewicz obtained a Master’s degree in Biotechnological Engineering in 2007 from Koszalin University of Technology with the thesis focusing on recovery of native proteins from industrial waste streams using preparative ion-exchange chromatography. Subsequently she obtained a PhD in Technical Science (2012) from Gdańsk...

  • Topology recognition and leader election in colored networks

    Publikacja

    Topology recognition and leader election are fundamental tasks in distributed computing in networks. The first of them requires each node to find a labeled isomorphic copy of the network, while the result of the second one consists in a single node adopting the label 1 (leader), with all other nodes adopting the label 0 and learning a path to the leader. We consider both these problems in networks whose nodes are equipped with...

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  • Probing the Magnetic Anisotropy of Co(II) Complexes Featuring Redox-Active Ligands

    Publikacja
    • P. Kumar
    • D. J. SantaLucia
    • K. Kaniewska-Laskowska
    • S. V. Lindeman
    • A. Ozarowski
    • J. Krzystek
    • M. Ozerov
    • J. Telser
    • J. F. Berry
    • A. T. Fiedler

    - INORGANIC CHEMISTRY - Rok 2020

    Coordination complexes that possess large magnetic anisotropy (otherwise known as zero-field splitting, ZFS) have possible applications in the field of magnetic materials, including single molecule magnets (SMMs). Previous studies have explored the role of coordination number and geometry in controlling the magnetic anisotropy and SMM behavior of high-spin (S = 3/2) Co(II) complexes. Building upon these efforts, the present work...

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  • Model zaangażowania w relacji usługodawca-klient

    Publikacja

    - Rok 2020

    W niniejszej monografii przedstawiono rozwiązania pozwalające lepiej zrozumieć złożoność relacji występujących pomiędzy usługodawcami a klientami oraz metody, które pozwalają tę wiedzę wykorzystać w doskonaleniu procesów organizacji usługowych. Monografia podejmuje problem kształtowania zaangażowania na styku usługodawca–klient jako wstępnego i koniecznego warunku rozwijania relacji w usługach. Opierając się na klasycznej drabinie...

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  • JAKOŚĆ I JEJ ZASTOSOWANIA 2023 | QUALITY AND ITS APPLICATIONS 2023 TOWARDS SUSTAINABLE FUTURE

    Wydarzenia

    23-11-2023 09:30 - 24-11-2023 15:30

      Politechnika Gdańska i Uniwersytet Gdański  oraz Związek Uczelni Fahrenheita zapraszają do wzięcia udziału w  III Międzynarodowej Konferencji Naukowej    Gdańsk University of Technology and the University of Gdańsk and the Fahrenheit University Association invite you to take part in the 3rd International...

  • Agent-based social network as a simulation of a market behaviour

    Publikacja

    - Rok 2010

    Recent years and the outbreak of world's economic crisis in 2008 proved the crucial importance of reliable analysis of market dynamics. However, werarely apply models of proper detail level (the global prosperity forecast of 2007 can be seen as a grim proof). The behaviour of individuals and companies is far from being ideal and rational. Many claims that the economic paradigm of rational expectations (coming from J. Muth and R....

  • Development of Biocompatible Fe3O4@SiO2 Nanoparticles as Subcellular Delivery Platform for Glucosamine-6-phosphate Synthase Inhibitors

    Publikacja

    - Rok 2018

    Numerous inhibitors of glucoseamine-6-phophate synthase (GlcN-6-P), the enzyme responsible from catalysis of the first step of metabolic pathway leading to metabolism 5’-diphospho-N-acetyl-D- glucosamine, were reported as effective agents for inhibiting the growth of various fungal pathogens. Among the reported inhibitors,...

  • Architektura a dekonstrukcja. Przypadek Petera Eisenmana i Bernarda Tschumiego

    Publikacja

    - Rok 2015

    Architecture and Deconstruction Case of Peter Eisenman and Bernard Tschumi   Introduction Towards deconstruction in architecture Intensive relations between philosophical deconstruction and architecture, which were present in the late 1980s and early 1990s, belong to the past and therefore may be described from a greater than...

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  • Computer controlled systems - 2022/2023

    Kursy Online
    • P. Raczyński

    materiały wspierające wykład na studiach II stopnia na kierunku ACR pod tytułem komputerowe systemy automatyki 1. Computer system – controlled plant interfacing technique; simple interfacing and with both side acknowledgement; ideas, algorithms, acknowledge passing. 2. Methods of acknowledgement passing: software checking and passing, using interrupt techniques, using readiness checking (ready – wait lines). The best solution...

  • CCS-lecture-2023-2024

    Kursy Online
    • P. Raczyński

    materiały wspierające wykład na studiach II stopnia na kierunku ACR pod tytułem komputerowe systemy automatyki 1. Computer system – controlled plant interfacing technique; simple interfacing and with both side acknowledgement; ideas, algorithms, acknowledge passing. 2. Methods of acknowledgement passing: software checking and passing, using interrupt techniques, using readiness checking (ready – wait lines). The best solution optimization...