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Search results for: JAIN
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Influence of beta-cyclodextrin on coupling reactions of o-nitrobenzenediazonium salt with pyrrole
PublicationW artykule opisano syntezę azobenzopochodnych pirolu oraz wpływ beta-cyklodekstryn (beta-CD) na te reakcje. W bezpośredniej reakcji prowadzonej bez udziału cyklodekstryny, otrzymano przede wszystkim związek będący monopodstawioną azopochodną pirolu. Przy użyciu większych ilości beta cyklodekstryny w reakcji, tzn. 1 i 2 milimole przypadające na 1 milimol pirolu, otrzymano, oprócz niewielkich ilości innych związków, przede wszystkim...
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Highly efficient exciplex phosphorescence from organic light-emitting diodes
PublicationW pracy badano fluorescencję ekscypleksową w układzie dendrymer aminowy m-MTDATA(donor elektronu):fenantrolina BPT (akceptor) oraz fosforescencję ekscypleksową w układzie m-MTDATA:organiczny kompleks platyny PtL2Cl. Opisano konstrukcję dwuwarstwowej diody elektrofosforescencyjnej o kwantowej (użytecznej) wydajności świecenia 2.4%.
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Międzynarodowe Targi Ekologiczne POLEKO 2006
PublicationW dniach 21-24.11.2006 w Poznaniu miały miejsce Międzynarodowe Targi Ekologiczne POLEKO 2006, w trakcie których odbyło się kilkadziesiąt konferencji i seminariów poświęconych różnym aspektom ochrony środowiska.Wydział Chemiczny Politechniki Gdańskiej, Pomorskie Centrum Badań i Technologii Środowiska POMCERT oraz Urząd Marszałkowski Województwa Pomorskiego wspólnie występowali na Targach POLEKO 2006. Przedstawiciele Politechniki...
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Udział Politechniki Gdańskiej w projekcie RECO
PublicationReco jest projektem opartym na współpracy partnerów z Białorusi, Estonii, Finlandii, Litwy, Łotwy, Niemiec, Polski, Rosji i Szwecji w zakresie gospodarki odpadami i planowania przestrzennego. Liderem projektu jest Urząd Administracji Regionu Sztokholm. Projekt Reco realizowany jest w ramach Programu BSR Interreg III B
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Charge photogeneration effect on the exciplex emission from thin organic films
PublicationZaobserwowano silne wygaszenie fluorescencji i fosforescencji ekscypleksowej w układzie dwuamina TPD (donor elektronu): pochodna fenantroliny BPT (akceptor elektronu) w zewnętrznym polu elektrycznym. Efekt ten przypisano wygaszaniu molekularnych ekscytonów singletowych TPD na elektronach akceptorów BPT.
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The laws of thermodynamics: entropy, free energy, information and complexity
PublicationW rozdziale przedstawiono podstawowe Zasady Termodynamiki. Omówiono zagadnienia związane z pojęciem entropii, energii Gibbsa, egzergii oraz systemami złożonymi.
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Electric field effect on luminescence, and photoconduction in electron donor - electron acceptor organic solid films
PublicationZaobserwowano silne wygaszenie fotoluminescencji (80%) i duże fotoprądy (1mA/cm2) w układzie dendrymer aminowy m-MTDATA (donor elektronu) : pochodna fenantroliny BPT (akceptor elektronu) niedomieszkowanym oraz zawierającym domieszkę w postaci organicznego kompleksu platyny PtL2Cl. W interpretacji wyników uwzględniono elektrycznopolową dysocjację singletowych ekscypleksów m-MTDATA:BPT i trypletowych ekscypleksów m-MTDATA : PtL2Cl...
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The laws of termodynamics and Homo sapiens the engineer
PublicationRozdział przedstawia główne zasady termodynamiki i ich wykorzystanie przez człowieka. Zasady termodynamiki odniesiono do biologii oraz organizmów żywych.
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Single-dopant organic white electrophosphorescent diodes with very high efficiency and its reduced current density roll-off
PublicationW pracy opisano konstrukcję wysokowydajnej diody elektrofosforescencyjnej zawierającej domieszkę organicznego kompleksu platyny PtL2Cl (L oznacza organiczny ligand). Dioda emituje światło białe które pochodzi od ekscymerów świecących w czerwieni i wzbudzonych monomerów świecących w części niebieskiej widma. Kwantowa wydajność świecenia diody wynosi ok. 15% i słabo maleje ze wzrostem gęstości płynącego prądu elektrycznego.
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Reexamination of the decoherence of spin registers
PublicationWe revisit the decoherence process of a multiqubit register interacting with a thermal bosonic bath. We generalize the previous studies by considering not only the register’s behavior but also a part of its environment. In particular, we are interested in information flow from the register to the environment, which we describe using recently introduced multipartite quantum state structures called spectrum broadcast structures....
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Production of singlet oxygen atoms by photodissociation of oxywater
PublicationQuantum chemical calculations are reported for the energies of the few lowest electronic singlet states of oxywater along dissociation of the oxygen-oxygen bond into water and singlet oxygen using multistate multireference second-order Møller–Plesset perturbation theory. We compute an energy of 21 kcal/mol to remove one oxygen atom in the lowest singlet state. The two lowest excited singlet states have vertical excitation energies...
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Computed vibrational excitation ofCF4by low-energy electrons and positrons: Comparing calculations and experiments
PublicationQuantum calculations for the excitation of the asymmetric modes of the CF4 target gas, ν3 and ν4, by impact of low-energy electrons and positrons are carried out in the energy range around 1 eV and are compared with recent experimental findings. The similarities and differences between the two types of projectiles, and the two different modes, are analyzed and discussed vis à vis the present accord with the experimental results.
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Formation of carbon monoxide by radiative association: a quantum dynamical study
PublicationRate coefficients for the formation of carbon monoxide (CO) by radiative association of carbon and oxygen atoms are computed using quantum dynamical simulations. At temperatures above 10 K CO radiative association is dominated by C(3P) and O(3P) approaching on the A1Π potential energy curve. The rate coefficient is estimated as k=A(T/300 K)αexp−β/T with A= 1.39 × 10−18 cm3 s−1, α=−0.016 and β= 92.2 for temperatures between 6 and...
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Chłodzenie materii poprzez fluorescencję antystokesowską
Publicationnane są różne metody chłodzenia wykorzystujące procesy termodynamiczne, zjawiska termoelektryczne i magnetoelektryczne. W artykule przedstawiono możliwości chłodzenia materii poprzez fluorescencję antystokesowską materiału luminezującego oświetlanego światłem laserowym o określonej długości fali. Materiałami szczególnie korzystnymi są szkła domieszkowane metalami ziem rzadkich n.p. szkło typu ZBLAN, zawierające iterb. Układy takie...
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Positron binding to alkali-metal hydrides: The role of molecular vibrations
PublicationThe bound vibrational levels for J=0 have been computed for the series of alkali-metal hydride molecules from LiH to RbH, including NaH and KH. For all four molecules the corresponding potential-energy curves have been obtained for each isolated species and for its positron-bound complex (e+XH). It is found that the calculated positron affinity values strongly depend on the molecular vibrational state for which they are obtained...
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Refined theoretical study of radiative association: Cross sections and rate constants for the formation of SiN
PublicationRadiative association of silicon mononitride (SiN) in its two lowest molecular electronic states is studied through quantum and classical dynamics. Special attention is paid to the behavior of the cross section at high collision energies. A modified expression for the semiclassical cross section is presented which excludes transitions to continuum states. This gives improved agreement with quantum mechanical perturbation theory...
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Positron collisions with molecular hydrogen: cross sections and annihilation parameters calculated using theR-matrix with pseudo-states method
PublicationThe molecular R-matrix with pseudo-states (MRMPS) method is employed to study positron collisions with H2. The calculations employ pseudo-continuum orbital sets containing up to h (l = 5) functions. Use of these high l functions is found to give converged eigenphase sums. Below the positronium formation threshold, the calculated cross sections agree with other high-accuracy theories and generally with the measurements. Calculation...
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Numerical analysis of scale effects in open propellers
PublicationArtykuł przedstawia numeryczne badania efektu skali powodującego różnice w charakterystykach hydrodynamicznych śrub okrętowych wyznaczonych dla skali rzeczywistej i dla skali modelowej. Zaprezentowano wyniki obliczeń dla trzech przykładowych śrub, pokazując poprawki na efekt skali wyznaczone według czterech różnych metod.
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Natural language dictionaries implemented as finite automata
PublicationRozdział przedstawia wykorzystanie automatów skończonych jako słowników języka naturalnego. Podane są podstawy teoretyczne. Omówione są zastosowania: realizacja doskonałej funkcji mieszającej, analizy i syntezy morfologicznej, poprawiania pisowni i dopisywania znaków diakrytycznych, wydobywanie informacji. Podano algorytmy tworzenia automatów oraz omówiono sposoby reprezentacji automatów z uwzględnieniem kompresji.
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Enzymatic electrodes nanostructured with functionalized carbon nanotubes for biofuel cell applications
PublicationNanostructured bioelectrodes were designed and assembled into a biofuel cell with no separating membrane.
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Rola teromdynamiki w rozwoju cywilizacji
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Spektroskopia Bliskiej Podczerwieni NIR
PublicationSpektroskopia bliskiej podczerwieni (NIR) odgrywa coraz większą rolę w analizie ilościowej i jakościowej. Zaletami wykorzystywanej techniki NIR są: 1) nieniszczący, nieinwazyjny charakter analizy, 2) brak konieczności przygotowania próbki przed analizą, 3) prostota i szybkość wykonania rutynowej analizy, 4) wysoka czułość, 5) niski koszt, 6) uzyskanie kompleksowego obrazu badanego materiału, 7) zwiększenie bezpieczeństwa pracy...
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Human friendly architectural design for a small Martian base
PublicationW artykule przedstawiono architektoniczny projekt przyjaznej człowiekowi bazy marsjańskiej. Stworzony on został na podstawie analizy warunków na Marsie, dostępnych obecnie technologii i problemów socjopsychologicznych w izolowanych habitatach w warunkach ekstremalnych, a także w odniesieniu do Marsjańskiej Misji Wzorcowej opracowanej przez NASA. Autorzy szczególną uwagę poświęcili czynnikowi ludzkiemu, który nie może zostać zaniedbany...
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Numerical simulations of sand behavior using DEM with 2 different descriptions of grain roughness
PublicationW rozdziale przedstawiono wyniki dyskretnych symulacji jednorodnego trójosiowego ściskania piasku przy zastosowaniu metody elementów dyskretnych. Obliczenia wykonano stosując 2 różne opisy szorstkości ziaren: kule z uwzględnieniem momentów kontaktu oraz grona kul. Obliczono energię sprężystą i dysypację plastyczną. Wyniki symulacji numerycznych porównano z wynikami doświadczalnymi.
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Effect of grain roughness on strength, volume changes, elastic and dissipated energies during quasi-static triaxial and biaxial compression using DEM
PublicationArtykuł omawia wpływ szorstkości ziaren na wytrzymałość, zmiany objętościowe, sprężyste i dysypywane energie podczas jednorodnego quasi-statycznego trójosiowego i dwuosiowego ściskania. Obliczenia wykonano stosując metodę elementów dyskretnych. W obliczeniach zastosowano różne szorstkości ziaren. Zbadano różne zjawiska na poziomie ziarna w strefie ścinania.
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An analysis of solar energy conversion systems based on photon and thermal processes
PublicationSolar spectral irradiance covers a fairly broad wavelength range. Solar radiation is part of the electromagnetic spectrum which is described by the concept of wave-particle duality. The corpuscular theory of electromagnetic radiation states that energy is transmitted by photons. Photons carry specific amounts of energy which can be used to convert solar energy into other types of energy, in particular electricity. The internal...
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Do positrons measure atomic and molecular diameters?
PublicationWe report on density functional calculations (DFT) of elastic integral scattering cross-sections for positron collisions with argon, krypton, nitrogen and methane. The long-range asymptotic polarization potential is described using higher-order terms going much beyond an induced dipole potential (−α / r 4) while the short-range interaction is modeled by two different forms of electron – positron correlation potential (Boroński-Nieminen...
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Design of horizontal axis wind and water turbines
PublicationThe basic hydrodynamic principles of horizontal axis turbines are presented. Computational methods based on vortex theory for design of such turbines and for calculation of their hydro or aerodynamic characteristics are described in detail. These methods are applicable both to wind and water turbines. The influence of detailed turbine geometry on its characteristics is presented. Several practical computational examples of different...
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Synergic Effect of Naphthylated Carbon Nanotubes and Gold Nanoparticles on Catalytic Performance of Hybrid Films Containing Bilirubin Oxidase for the Dioxygen Reduction
PublicationTo improve the direct electron transfer from a multicopper oxidase MvBOd to the glassy carbon electrode surface the naphthylated multiwall carbon nanotubes (Napht-MWCNTs) are ombined with gold nanoparticles (AuNPs) to form a conductive network at the electrode and to increase its working surface. Such approach allowed to eliminate the necessity of employing mediators to reach elevated current values. The enzyme stability was improved...
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Annihilation rates of low-energy positron scattering from simple diatomic molecules
PublicationWe discuss the calculations of Zeff coefficients for a series of diatomic molecules over the range of energies below the positronium formation. During the development of a general code for polyatomic, nonlinear molecules colliding with positrons, it was discovered that the earlier one, employed only for diatomic molecules, had an error. The error is corrected and the corrected results are presented here. We also discuss a way of...
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Multi-state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms
PublicationThe multi-mode multi-state vibronic interactions in the set of X^2B_1 - D^2A_1 electronic states of the monofluoro benzene radical cation are investigated theoretically, based on a quadratic vibronic coupling approach. The underlying ionization potentials and coupling constants are obtained from ab initio coupled-cluster calculations. Previous investigations (relying on the linear coupling approach) are extended by including all...
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Low-energy positron collisions with water: elastic and rotationally inelastic scattering
PublicationDifferential, integral and momentum transfer cross sections for the vibrationally elastic and rotationally inelastic scattering of positrons from water at low collision energy (E ≤ 10 eV) are reported. Several models within the R-matrix method are used to compute the body-fixed T-matrices, while the scattering calculations are performed within the fixed-nuclei approximation corrected with the standard Born-closure formula. These...
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Vibrational excitation of acetylene by positron impact
PublicationVibrationally inelastic quantum calculations are carried out at low collision energies for the scattering of a beam of positrons off acetylene gaseous molecules. The normal mode analysis is assumed to be valid and the relative fluxes into the C–C and C–H symmetric vibrational modes are computed within a Body-Fixed (BF) formulation of the dynamics by solving the relevant vibrational Coupled Channels (VCC) equations. The clear dominance...
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Excited-state proton transfer and geminate recombination in the molecular cage of β-cyclodextrin
PublicationExcited-state proton transfer and geminate recombination in aqueous heptakis(2,6-di-O-methyl)-β-cyclodextrin have been compared with those in water by monitoring the photoinduced prototropic tautomerization of 6-hydroxyquinoline, which occurs via forming anionic intermediate. Enol deprotonation decelerates by 18 times whereas its reverse process accelerates slightly with encapsulation. The imine protonation of the intermediate...
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Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models
PublicationDifferent computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C2H2 molecules. The computations are carried out at the static and static-plus-polarization levels for describing the interaction forces and the correlation–polarization contributions are found to be an essential component for the correct...
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Ab Initio Study of the Electronic Spectrum of 7-Hydroxyquinoline
PublicationThe electronic spectrum of 7-hydroxyquinoline has been studied by using ab initio Multi-State Multi-Reference Møller-Plesset Second-Order Perturbation Theory (MSMRMP2). The energy range up to 6.5 eV is taken into consideration. The lowest π–π* transition is calculated to have an energy of 3.65 eV in good agreement with experimental data. Several other π–π* transitions are predicted to have excitation energies of 4.93, 5.20, 5.47,...
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Polarisation effects in low-energy positron–molecule scattering
PublicationThe UK molecular R-matrix method has been adapted to treat positron collisions from polyatomic targets. A simple empirical enhancement factor which corrects for the underestimation of electron–positron polarisation and correlation effects in the calculations performed with the static-plus-polarization model at low scattering energies is presented. Application of this model to positron scattering from carbon dioxide at energies...
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Multi-mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation
PublicationThe multi-mode vibronic interactions between the five lowest electronic states of the fluorobenzene radical cation are investigated theoretically, based on ab initio electronic structure data, and employing the linear vibronic coupling model. Low-energy conical intersections, and strong vibronic couplings are found to prevail within the set of X-A and B-C-D cationic states, while the interactions between these two sets of states...
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Comparison between measured and calculated underwater pressure of merchant ship
PublicationFrom 2012 The Polish Naval Academy take part in an international research project SIRAMIS, carried out in the framework of the European Defence Agency. The objective of this project is to improve the understanding of ship signature interaction with multi influence sensors in relevant and realistic scenario's. This paper describes selected results of the comparison results of sea trials and model calculations of the hydrodynamic...
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Oznaczanie tlenu – od metody Winklera do czujników enzymatycznych (Determination of oxygen – from Winkler Method to enzymatic sensor)
PublicationMonitoring of dioxygen levels is of utmost importance from the view-point of life processes, medical diagnostics, nutrition and chemical industries. In all these measurements both low and high levels of this element are important. The common methods for the determination of dioxygen are the Winkler method, Clark electrode and pulsoxymeters. A new, already strong field of research can be now recognized – the development of miniaturized...
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Chapter 7: Engineering Thermodynamics and the Carnot Cycle
PublicationThe chapter presents information about thermodynamics and thermodynamic cycles, especially the history and meaning of Carnot Cycle as well as P-v and T-s Diagrams
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High Temperature Air Combustion and Gasification (HTAC; HTAG)
PublicationCombustion and gasification technology utilizing high-cycle regenerative air/steam preheater has drawn increased attention in many application areas. The process is to be realized at temperature level above ash melting point using highly preheated agent. The use of highly preheated media above 900oC provides additional energy in to conversion processes and results in considerable changes to the design of combustion and gasification...
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Rola termodynamiki w rozwoju cywilizacji
PublicationArtykuł poświęcony znaczeniu i roli termodynamiki w rozwoju cywilizacji, nierozerwalnie łączącym się ze wzrostem zapotrzebowania na energię. Autorzy omówili zastosowanie termodynamiki klasycznej w fizyce zwracając uwagę na ważną rolę J.C. Maxwella w rozwoju kinetycznej teorii gazu.
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A dipole-driven path for electron and positron attachments to gas-phase uracil and pyrimidine molecules: a quantum scattering analysis
PublicationElectron and positron scattering processes in the gas-phase are analysed for uracil and pyrimidine molecules using a multichannel quantum approach at energies close to threshold. The special effects on the scattering dynamics induced by the large dipole moments in both molecules on the spatial features of the continuum leptonic wavefunctions are here linked to the possible bound states of the Rydberg-like molecular anions or ‘positroned’...
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Positron scattering on molecular hydrogen: Analysis of experimental and theoretical uncertainties
PublicationExperiments performed in recent years on positron scattering from molecular hydrogen indicated a rise of the total cross section in the limit of zero energy, but essentially disagree on the amplitude of this rise. Mitroy and collaborators [J.-Y. Zhang et al., Phys. Rev. Lett. 103, 223202 (2009)] predicted a scattering length somewhat different from values deduced experimentally. Using a Markov chain Monte Carlo modified effective...
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Sandwich Biobattery with Enzymatic Cathode and Zinc Anode Integrated with Sensor
PublicationCarbon paper covered with side-naphthylated multi walled carbon nanotubes was used as the conducting support for the construction of a biocathode in a hybrid biofuel cell. Laccase Carrena unicolor enzyme was employed as the catalyst for the 4e reduction of oxygen and a zinc disc covered with hopeite was used as the anode. Derivatized carbon nanotubes increase the working surface of the electrode and provide direct contact with...
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ON THE NON-LOCALITY OF TRIPARTITE NON-SINGALING BOXES EMERGING FROM WIRINGS
PublicationIt has been recently shown, that some of the tripartite boxes admittin g bilocal decom- position, lead to non-locality under wiring operation applied to t wo of the subsystems [R. Gallego et al. Physical Review Letters 109 , 070401 (2012)]. In the following, we study this phenomenon quantitatively. Basing on the known classes of bo xes closed un- der wirings, we introduce multipartite monotones which are count erparts of bipartite ones...
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Dipole-driven dynamics for near-threshold electron/positron interactions with pyrimidinic DNA bases: a path to compound formations
PublicationCalculations are reported for electron and positron scattering from isolated cytosine and thymine, where the two pyrimidinic single-ring DNA bases, in the gas-phase at energies near the elastic threshold, they reveal the special features of the dipole-driven scattering states. All molecules examined exhibit, in fact, supercritical (>1.67 D) permanent dipoles which can therefore also support, below threshold, excited bound compound...
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Ekonomiczne i środowiskowe aspekty skoncentrowanej fotowoltaiki
PublicationW artykule przeanalizowano możliwość wykorzystania promieniowania słonecznego do wytwarzania energii elektrycznej, ze szczególnym uwzględnieniem roli skoncentrowanego promieniowania słonecznego. Skoncentrowana fotowoltaika (CPV), przy użyciu wielowarstwowych ogniw fotowoltaicznych, pozwala na obniżenie kosztów instalacji oraz kosztów wytwarzania energii elektrycznej. Rozwój nowych technologii wytwarzania energii elektrycznej z...
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Comparative molecular modelling of biologically active sterols
PublicationMembrane sterols are targets for a clinically important antifungal agent – amphotericin B. The relatively specific antifungal action of the drug is based on a stronger interaction of amphotericin B with fungal ergosterol than with mammalian cholesterol. Conformational space occupied by six sterols has been defined using the molecular dynamics method to establish if the conformational features correspond to the preferential interaction...