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Modification and Optimization of the United-Residue (UNRES) Potential Energy Function for Canonical Simulations. I. Temperature Dependence of the Effective Energy Function and Tests of the Optimization Method with Single Training Proteins
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Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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 triplet Pi gerade states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the triplet Pi gerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry triplet Pi gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Adiabatic potential energy curves of the singlet Sigma gerade plus states of the Lithium dimer
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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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Adiabatic potential energy curves of the singlet Pi ungerade states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the singlet Pi ungerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry singlet Pi ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Jerzy Głuch dr hab. inż.
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The rovibrational energy levels of the diatomic silver anion and neutral silver dimer
Dane BadawczeThe 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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Adiabatic potential energy curves of the 3, 4 and 5^1Σ^+ excited states of LiCs molecule
Dane BadawczeAdiabatic potential energy curves of the 3, 4, and 5^1Σ^+ excited states have been calculated for the LiCs molecule. The results of three excited states of the symmetry Σ^+ have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons with atomic...
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Emission enhancement of Eu(III) and/or Tb(III) ions entrapped in silica xerogels with ZnO nanoparticles by energy transfer
PublikacjaW pracy przedstawiono rezultaty wpływu domieszkowania nanocząsteczkami ZnO kserożeli krzemianowych zawierających jony Eu(III)i/lub Tb(III). Wzmocnienie emisji w kserożelach zawierających Tb(III) następowało na skutek wymiany energii między jonami Tb i nanocząsteczkami ZnO. Wzmocnienia takiego nie zaobserwowano w przypadku jonów Eu. Zaobserwowano również kwantowy efekt rozmiaru w przerwie energetycznej ZnO.
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Hybrid Monte-Carlo simulations of fluorescence anisotropy decay in disordered two-component systems in the presence of forward and back energy transfer
PublikacjaW pracy przedstawiono hybrydowy algorytm symulacji Monte Carlo zaniku anizotropii emisji fluorescencji w układach dwuskładnikowych z uwzględnieniem prostego i powrotnego transferu energii. Poprawność nowego algorytmu symulacji Monte Carlo zweryfikowano poprzez porównanie z wynikami obliczeń teoretycznych otrzymanymi w ramach modelu SCDM i z wynikami standardowej symulacji Monte Carlo (algorytm 'step by step').
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Redukcja strat mocy w sieciowych systemach fotowoltaicznych za pomocą hybrydowych kolektorów PVT
PublikacjaEnergia promieniowania słonecznego, zaabsorbowana przez warstwy fotoaktywne systemów fotowoltaicznych (PV), podłączonych do sieci elektroenergetycznej, jest częściowo zamieniana na ciepło w skutek niepełnego procesu konwersji energii słonecznej na energię elektryczną. Na skutek znacznej pojemności cieplnej modułów PV, ciepło skumulowane jest w objętości materiału fotoabsorbera, co prowadzi do wzrostu temperatury roboczej systemu....
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Wpływ dużych założeń widowiskowo-sportowych na rewitalizację przestrzeni miejskich na przykładzie stadionu Energa Arena w Gdańsku
PublikacjaCelem badań jest wykazanie, iż budowa dużych obiektów i założeń widowiskowo-sportowych w przestrzeni zurbanizowanej może generować pozytywne przemiany i rewitalizację zdegradowanych obszarów miejskich. Na podstawie analizy porównawczej przypadków, w których działania takie miały miejsce można stwierdzić, że lokalizowanie tychże obiektów na silnie zdegradowanych terenach zurbanizowanych jest jedną z najbardziej efektywnych metod...
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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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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Operation evaluation method for marine turbine combustion engines in terms of energetics
PublikacjaAn evaluation proposal (quantitative determination) of an y combustion turbine engine operation has been presented , wherein the impact energy occurs at a given time due to Energy conversion. The fact has been taken into account that in this type of internal combustion engines the energy conversion occurs first in the combustion chambers and in the spaces between the blade of the turbine engine. It was assumed that in the combustion...
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Near-Infrared III Nanophosphorswith Cr3+Ni2+ Energy Transfer for Bioimaging
Dane BadawczeIn the biomedical field, the use of fluorescence imaging in the second near-infrared (NIR-II) region is growing rapidly because it imparts the advantages of reduced autofluorescence and low photon scattering. The advantage of reduced scattering is that it increases penetration depth in vivo and improves imaging clarity. Herein, this work uses mesoporous...
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Embedded system using Bluetooth Low Energy sensors for smart farming applications
PublikacjaThe main goal of this Bachelor of Engineering project titled Embedded system using Bluetooth Low Energy sensors for smart farming applications is to create a prototype of a system consistent with Agriculture 4.0 concept using Bluetooth Low Energy (BLE) technology. Developed solution shall be easy in implementation and its main functionality shall be periodic gathering of data from environmental sensors...
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An Innovative Decision Support System to Improve the Energy Efficiency of Buildings in Urban Areas
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Household standards and socio-economic aspects as a factor determining energy consumption in the city
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Mitigating the Energy Consumption and the Carbon Emission in the Building Structures by Optimization of the Construction Processes
PublikacjaFor decades, among other industries, the construction sector has accounted for high energy consumption and emissions. As the energy crisis and climate change have become a growing concern, mitigating energy usage is a significant issue. The operational and end of life phases are all included in the building life cycle stages. Although the operation stage accounts for more energy consumption with higher carbon emissions, the...
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Towards an integrated assessment of environmental and human health impact of energy sector in Poland
PublikacjaReferat prezentuje system zintegrowanej oceny wpływu sektora energetycznego na stan środowiska i zdrowie ludzkie w Polsce. W podejściu wykorzystano kombinację modelu transportu zanieczyszczeń w powietrzu POLAIR 3D z modelem informacyjno-symulacyjnym RAINS. Model oszacowuje emisje i koncentracje zanieczyszczeń powietrza, koszty kontroli emisji zanieczyszczeń i inne koszty związane z różnymi scenariuszami rozwoju sektora energetycznego.The...
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Higher harmonics of converter currents in energy conversion system of small water plants
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Efficiency analysis of an energy conversion system for a variable speed small hydropower plant
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Cogging torque analysis based on energy approach in surface-mounted PM machines
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Innovative Energy-Saving Propulsion System for Low-Speed Biomimetic Underwater Vehicles
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Innovative Energy-Saving Propulsion System for Low-Speed Biomimetic Underwater Vehicles
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High-Energy-Low-Temperature Technologies for the Synthesis of Nanoparticles: Microwaves and High Pressure
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Recent improvements in prediction of protein structure by global optimization of a potential energy function
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Estimation of Solar Energy Influx to the Sea in the Light of Fast Satellite Technique Development
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Photonics applications in astronomy, communications, industry, and high energy physics experiments 2014
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Research into GTA automatic soft soldering technology for solar energy collector components
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Analysis of energy and economic efficiency water heating by heat pump air-water
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Analysis of energy and economic efficiency of water heating system powered by photovoltaic module
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Energy Recovery Analysis in A-Type Pressure Regulation and Measurement Stations in Istanbul, Esenyurt
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ECOLOGICAL MINIMIZATION AND CONTROL OF ENERGY AND MATTER CONSUMPTION ON THE EXAMPLE OF A SINGLE-FAMILY HOUSE
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Electrical energy generation in photovoltaic systems installed in North Poland : problems and possibilities
PublikacjaCelem analizy było określenie potencjalnych możliwości generowania energii elektrycznej za pomocą modułów fotowoltaicznych w warunkach geograficznych Polski Północnej poprzez: obliczenie energii padającego promieniowania słonecznego w roku pomiarowym dla miasta Gdańska oraz wyznaczenie ilości energii elektrycznej, jaką można uzyskać przy pomocy instalacji modułów fotowoltaicznych z monokrystalicznego i polikrystalicznego krzemu.
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Accurate and continuous adhesive fracture energy determination using an instrumented wedge test
PublikacjaThe wedge test and the related double cantilever beam test are practical methods of assessing structural adhesive fracture energy. In the former, and to a lesser extent the latter, a recognised problem is the difficulty of following the length of the growing crack, required to calculate fracture energy with any accuracy. We present a novel method of measurement of crack length that has the advantages of being accurate and allowing...
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Supercapacitors in stand-alone pv systems with instantaneus high output energy pulses
PublikacjaSuperkondensatory (ang. supercapacitors, ultracapacitors, double-layer capacitors, gold capacitors and power capacitors) stanowią stosunkową nowość w energetyce prądu stałego, zwłaszcza w dziedzinie magazynowania i oddawania energii. Podjęto próby zastosowania superkondensatorów jako jedynego lub wspierającego źródła, służącego do gromadzenia energii PV w autonomicznych instalacjach. Opracowany we własnym zakresie, wykonany i opisany...
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Optimization of the Geothermal Energy for District Heating in the Polish Tatras Region: A Case Study
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Advances in Pd Nanoparticle Size Decoration of Mesoporous Carbon Spheres for Energy Application
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Low energy γ-rays scintillation detection with large area avalanche photodiodes
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REVIEW THE MAIN TECHNOLOGIES OF THE WIRELESS CHARGING OF ENERGY ACCUMULATORS FOR SMALL-PURCHASING SYSTEMS
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Analysis of Business Customers’ Energy Consumption Data Registered by Trading Companies in Poland
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Restructuring of the Coal Mining Industry and the Challenges of Energy Transition in Poland (1990–2020)
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