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Determination of energy-transfer distributions in ionizing ion-molecule collisions
PublicationThe main objective of this study is to determine the energy transfer occuring in ion-molecule collisions. In order to solve this problem, we followed two approaches; the first one by validating a purely experimental method and the second one by testing a new theoretical model M3C (Microcanonical Metropolis Monte Carlo).
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Unraveling Luminescent Energy Transfer Pathways: Futuristic Approach of Miniature Shortwave Infrared Light-Emitting Diode Design
Open Research DataPhosphor-converted shortwave infrared phosphor light-emitting diodes (pc-SWIR LEDs, 900–1700 nm) are promising next-generation portable light sources for spectroscopy, security, optical communication, and medical applications. A typical design strategy involves energy transfer from Cr3+ to Ni2+, and thus, energy transfer from Cr3+–Cr3+ pairs to Ni2+...
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A general approach to study molecular fragmentation and energy redistribution after an ionizing event
PublicationWe propose to combine quantum chemical calculations, statistical mechanical methods, and photoionization and particle collision experiments to unravel the redistribution of internal energy of the furan cation and its dissociation pathways. This approach successfully reproduces the relative intensity of the different fragments as a function of the internal energy of the system in photoelectron–photoion coincidence experiments and...
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Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi and Delta gerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries singlet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the five excited states of the symmetry triplet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the singlet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the ground state and three excited states of the symmetry singlet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Adiabatic potential energy curves of the singlet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry singlet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry triplet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi and Delta ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi and Delta ungerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries triplet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Probability estimation of the city’s energy efficiency improvement as a result of using the phase change materials in heating networks
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Air-cooled photovoltaic roof tile as an example of the BIPVT system – An experimental study on the energy and exergy performance
PublicationThe air-cooled photovoltaic tile is a subject of presented investigations, which focused on improving the overall system efficiency of PV tiles with heat recovery. The operational efficiency of a PV roof tile, together with the construction optimising the air cooling efficiency, were the main points of plans realized at this research stage. The article describes the experimental research consisting of the assessment of electrical,...
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Low energy differential elastic electron scattering from trichloromethane
PublicationExperimental differential cross sections for low energy electron scattering from trichloromethane is measured utilizing a crossed electron-molecular beam experiment via the relative flow method, for the incident electron energies in the range of E = 0.5 eV-30 eV and the scattering angles in the range of θ = 10◦ − 130◦ .
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Design of an Autonomous IoT Node Powered by a Perovskite-Based Wave Energy Converter
PublicationThis paper presents the results of experimental research focused on wave energy harvesting and its conversion to power Internet of Things (IoT) devices. The harvesting and conversion process was performed using a wave energy converter (WEC) consisting of a lead zirconate titanate piezoelectric ceramic perovskite material and a prototype power electronic circuit. The designed WEC was considered as a power supply for an end node...
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A digital repository of science resources of research institute as a source of knowledge from the area of production engineering for SMEs
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Groundwater flow modelling of multi-aquifer systems for regional resources evaluation: the Gdansk hydogeological system, Poland
PublicationW celu oceny regionalnych zasobów gdańskiego systemu hydrogeologicznego zbudowano matematyczny model przepływu wód. Obszar badań objął około 2800 km2. Dane pozyskano z ponad 1700 otworów badawczych. Na podstawie modelu oszacowano zasoby dla wszystkich pieter wodonośnych: plejstoceńskiego, neogeńsko-paleogeńskiego i kredowego. Na podstawie analizy równania Bredehoef'a ustalono, że aktualna eksploatacja jest zbliżona do poziomu ''zrównoważonego...
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Communication and public participation in integrated water resources management in accordance with the European Water Framework Directive (Poland)
PublicationW pracy przedstawiono proces komunikacji i udziału społeczeństwa we wdrażaniu Ramowej Dyrektywy Wodnej UE w Polsce na podstawie dokumentu opracowanego przez Ministerstwo Środowiska jak również projektu pilotowego realizowanego przez Regionalne Zarządy Gospodarki Wodnej w Gliwicach i Krakowie.
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Low-energy positron scattering from gas-phase benzene
PublicationIn this paper we are presenting calculations of the elastic cross section of positrons with gas-phase benzene for the energy range from 0.25 eV to 9.0 eV. The calculations are done with the molecular R-matrix method for positron-scattering from poly-atomic molecules using a scaling factor to scale the electron-positron interaction. The scaling factor influences the position of the poles of the R-matrix. We adjust the scaling factor...
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Multi-Agent Signal Filtering for Electrical Energy Demand Management
PublicationConsumers participating in electrical energy Demand Response (DR) programs may be exposed to energy-use related decisions at instants of time which are generally hard to predict. This is especially cumbersome to residential consumers who are less capable of investing in special equipment, or devoting significant time to analyze information and take decisions. To ease residential consumer participation, a multi-agent system proposed...
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Effect of choline chloride based natural deep eutectic solvents on aqueous solubility and thermodynamic properties of acetaminophen
PublicationIn this work, natural deep eutectic solvents (NADESs) containing choline chloride as hydrogen bond acceptor and 1,2-propanediol, malic acid and tartaric acid as hydrogen bond donors have been synthesized and applied to enhance the aqueous solubility of model sparingly water-soluble drug – acetaminophen. The results indicate that the greatest impact on the solubility of acetaminophen have deep eutectic solvents based on 1,2-propanediol...
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Modeling of Performance, Reliability and Energy Efficiency in Large-Scale Computational Environment
PublicationLarge scale of complexity of distributed computational systems imposes special challanges for prediction of quality in such systems.Existing quality models for lower-scale systems include functionality,performance,reliability,flexibility and usability.Among these attributes,performance and reliability have a particular significance to the large-scale systems computing quality modeling due to their strong dependence on the system...
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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma gerade plus (dSg+) states have been calculated for the Lithium dimer cation (Li2+). The results of the ground state and four excited states of the symmetry doublet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Modeling of Performance, Reliability and Energy Efficiency in Large-Scale Computational Environments
PublicationLarge scale of complexity of distributed computational systems imposes special challenges for prediction of quality in such systems. Existing quality models for lower-scale systems include functionality, performance, reliability, flexibility and usability. Among these attributes, performance and reliability have a particular significance to the large-scale systems computing quality modeling due to their strong dependence on the...
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Qualitative Indicators Used to Select the Placement and Parameters of Energy Storage Installed in the Distribution Network
PublicationThe technology related to energy storage has developed in recent years. Continuous improvement of the solutions available on the market resulted in wider usability of energy storage. They are also increasingly used in a distribution network. This study contains a synthesised description of physical features of the energy storage used in distribution networks. Several criteria of algorithms used to determine the placement and...
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Techno‐economic evaluation of a natural deep eutectic solvent‐based biorefinery: Exploring different design scenarios
PublicationThis paper presents a comprehensive techno‐economic evaluation of an integrated natural deep eutectic solvent (NADES)‐based biorefinery – a 1 ton day−1 capacity design plant. The key parameters include payback period, net present value (NPV), and internal rate of return (IRR). These were compared with the parameters of conventional biorefineries. The ‘n th plant’ results clearly revealed that the single product‐based biorefinery...
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Developing Novel Solutions to Realise the European Energy - Information Sharing & Analysis Centre
PublicationFor more effective decision making in preparation for and response to cyberevents in the energy sector, multilevel situation awareness, from technical to strategic is essential. With an uncertain picture of evolving threats, sharing of the latest cybersecurity knowledge among all sector stakeholders can inform and improve decisions and responses. This paper describes two novel solutions proposed during the formation of the European...
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Hidden Champions of Poland
PublicationPoland is a country with a strong entrepreneurial spirit. The hidden champions’ performance has been closely related to political and economic changes: the fall of communism in 1989 and the transition from a centrally planned economy to a market economy. This led to the emergence of small private businesses focused on the domestic market. The accession to the European Union in 2004 created new perspectives for the hidden champions’...
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Simulator for Performance Evaluation of ASON/GMPLS Network
PublicationThe hierarchical control plane network architecture of Automatically Switched Optical Network with utilization of Generalized Multi-Protocol Label Switching protocols is compliant to next generation networks requirements and can supply connections with required quality of service, even with incomplete domain information. Considering connection control, connection management and network management, the controllers of this architecture...
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Determination of Heavy Metals Concentration in Water and Soil at Various Locations in Lahore and their Harmful Impacts on Human and Plants life
PublicationHeavy metals poisoning of soil and water has resulted from industrial expansion in Lahore, Pakistan, creating a significant environmental hazard. As a result, monitoring the contamination of soil and water around industrial sites is critical. The fact that higher concentrations of heavy metals have a negative influence on both plants and human life and this cannot be ignored. Higher heavy metal concentrations have a direct impact...
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MERPSYS: An environment for simulation of parallel application execution on large scale HPC systems
PublicationIn this paper we present a new environment called MERPSYS that allows simulation of parallel application execution time on cluster-based systems. The environment offers a modeling application using the Java language extended with methods representing message passing type communication routines. It also offers a graphical interface for building a system model that incorporates various hardware components such as CPUs, GPUs, interconnects...
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A novel architecture of Web-GIS for mapping and analysis of echinococcosis in Poland
PublicationEchinococcosis is an infectious disease transferred through ingestion of food or water which have been contaminated with eggs of the Echinococcus tapeworm, which are spread by intermediate parasite hosts. Because the latter are primarily territorial, research related to diagnosis and prevention of echinococcosis requires investigation of environmental factors, which can be supported with the use of a Geographical Information System...
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Beyond quid pro quo: good soldiers and characteristics of their helping behaviours
PublicationPurpose – Good soldiers are people who engage in citizenship behaviours “to do good” instead of “to look good”. The purpose of this article is to explore the motivations behind and the specific characteristics of behaviours of the good soldiers in the context of work using social exchange theory (SET) as a theoretical framework. Design/methodology/approach – 47 dyadic interviews with 94 individuals from three organisations...
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Psychosocial risks associated with the profession of train driver
PublicationExcellent competencies as well as a good physical and mental health are required in train drivers’ profession. Despite the changes in the structure of employment the train drivers above 46 years and job tenure longer than 30 years are the largest group. The generation gap is becoming more pronounced, and its fulfilment will not be easy. It is related not only to training of new personnel but also promotion of healthy work environment...
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Zero-knowledge convincing protocol on quantum bit is impossible
PublicationIt is one of fundamental features of quantum formalism that o n one hand it provides a new infor- mation processing resources and on the other hand puts funda mental constraints on the processing of quantum information implying “no-go” theorems for cloni ng [1–3], bit commitment [4, 5] and deleting [6] in quantum theory. Here we ask about possibilit y of “zero knowledge” scenario which, for its simplicity, can be considered as...
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Exploring the Solubility Limits of Edaravone in Neat Solvents and Binary Mixtures: Experimental and Machine Learning Study
PublicationThis study explores the edaravone solubility space encompassing both neat and binary dissolution media. Efforts were made to reveal the inherent concentration limits of common pure and mixed solvents. For this purpose, the published solubility data of the title drug were scrupulously inspected and cured, which made the dataset consistent and coherent. However, the lack of some important types of solvents in the collection called...
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Bioassays as one of the Green Chemistry tools for assessing environmental quality: A review
PublicationFor centuries, mankind has contributed to irreversible environmental changes, but due to the modern science of recent decades, scientists are able to assess the scale of this impact. The introduction of laws and standards to ensure environmental cleanliness requires comprehensive environmental monitoring, which should also meet the requirements of Green Chemistry. The broad spectrum of Green Chemistry principle applications should...
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The role of rewards and demands in burnout among surgical nurses
PublicationObjective: Job rewards have both, an intrinsic and an extrinsic motivational potential, and lead to employees’ development as well as help them to achieve work goals. Rewards can balance job demands and protect from burnout. Due to changes on the labour market, new studies are needed. The aim of our study was to examine the role of demands and individual rewards (and their absence) in burnout among surgical nurses. Materials and...
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Mapping the spatial distribution of global anthropogenic mercury atmospheric emission inventories
PublicationW pracy przedstawiono procedury zastosowane do przygotowania map emisji rtęci ze źrodeł antropogennych na skale globalna i przedyskutowano wyniki obliczeń przedstawione na tych mapach. Dane o emisji użyte do przygotowania map zostały obliczone i opublikowane przez Pacyna et al. (2006). W niniejszej pracy przedstawiono mapy emsji dla roku 2000 oraz zmodyfikowane mapy emisji dla roku 1995.Mapy z rozkladem emisji w układzie gridów:...
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A Robust Random Forest Model for Classifying the Severity of Partial Discharges in Dielectrics
PublicationPartial Discharges (PDs) are a common source of degradation in electrical assets. It is essential that the extent of the deterioration level of insulating medium is correctly identified, to optimize maintenance schedules and prevent abrupt power outages. Temporal PD signals received from damaged insulation, collected through the IEC-60270 method is the gold standard for PD detection. Temporal signals may be transformed to the frequency...
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Pharmaceuticals wastewater treatment via different advanced oxidation processes: Reaction mechanism, operational factors, toxicities, and cost evaluation – A review
PublicationPharmaceuticals comprises different drugs used for treating different infections in human being and animals. The huge quantities of pharmaceuticals used are found to discharge into different water resources and cause different health and environmental problems. The continuous and large-scale discharge of pharmaceuticals increases their persistency which can consequently make them more toxic. The different advanced oxidation processes...
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Public space as a place of rehabilitation for the elderly – a systematic literature review
PublicationThe phenomenon of the population’s gradual global ageing means that an increasing proportion of research is concerned with the space in which seniors function on a daily basis. They are primarily aimed at identifying elements of the built environment that need updating in the new social context. The purpose of the analyses presented in this article is to review the current scientific literature on various aspects of physical activity...
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Eco-friendly modification of bitumen: The effects of rubber wastes and castor oil on the microstructure, processability and properties
PublicationThe bitumen industry in the European Union is facing several difficulties, including rising demand, unstable oil supply, rising prices for synthetic polymer modifiers, and a focus on lowering carbon footprint. Bitumen modification with crumb rubber (CR) is one of the most promising solution to these challenges. However, CR-modified bitumen have poor processability and low storage stability. To overcome these flaws we are introducing...
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Green engineered biomaterials for bone repair and regeneration: Printing technologies and fracture analysis
PublicationDespite the exceptional self-regeneration properties of bone, severe injuries often require additional surgical intervention such as using artificial bone constructs. These structures need to meet a number of criteria regarding their structure, performance, alongside the rate and the mechanism of erosion and fracture when implanted, for stimulating the regeneration of defected bone and, more critically providing support in the...
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Sustainability of Cluster Organizations as Open Innovation Intermediaries
PublicationThe purpose of the paper is to identify the most important open innovation practices used by cluster organizations (COs). To reflect these practices, the paper uses the concept of the trajectory of relationship development in COs, applied in the Interizon cluster organization. Additionally, this paper introduces the potential sustainability-related implications of open innovation adoption in cluster organizations. An in-depth direct...
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Long Distance Geographically Distributed InfiniBand Based Computing
PublicationCollaboration between multiple computing centres, referred as federated computing is becom- ing important pillar of High Performance Computing (HPC) and will be one of its key components in the future. To test technical possibilities of future collaboration using 100 Gb optic fiber link (Connection was 900 km in length with 9 ms RTT time) we prepared two scenarios of operation. In the first one, Interdisciplinary Centre for Mathematical...
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Analytical applications of smartphones for agricultural soil analysis
PublicationSoil is one of the most important farming resources. Appropriate managing of its quality promotes productive and sustainable agriculture. The valuable farm practice in soil quality managing is based on regular soil analysis with the aim to determine the exact amount of nutrients or other chemical, physical and biological soil properties. Soil analysis usually requires samples collection at desired sampling depth following by samples...
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KM Challenges in Small KIBS Companies: Multi-case Analysis in Two Countries
PublicationKnowledge Intensive Business Services (KIBS) – i.e. companies like e.g. computer services, consulting, engineering, business communication, and R&D support - are key players in the modern economies. They stimulate the innovativeness of businesses and societies. Their competitiveness is based on knowledge, which is their key production factor and also the kind of “goods” they sell. The large majority of KIBS companies have a small...
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Environmental impacts of food waste management technologies: A critical review of life cycle assessment (LCA) studies
PublicationFood waste is a serious global problem. Therefore, it is essential to reduce food waste and adopt recycling strategies to minimize its environmental impacts. However, conventional waste disposal methods emit harmful gases such as dioxin, CH4, N2O, and NH3, which contaminate the air and water resources. This work reviews the environmental consequences of food waste based on lifecycle assessment (LCA) techniques using methods such...