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Wyniki wyszukiwania dla: SURFACE STATES
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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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EEG data recorded in three mental states
Dane BadawczeElectroencephalographic (EEG) signals were acquired from 17 (14 males, 3 females) participants aged between 20 and 30 years.
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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublikacjaTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
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EU state aid within the Rural Development Program 2014-2020
Dane BadawczeThis dataset is a combination of EU and Polish legislation on the state aid in the agriculture sector, selected literature and few exemples of European Commission decisions on projects initiated in some EC Member States during the budgetary period 2014-2020. Careful reading of the materials will allow to review some effects of the state aid granted...
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state aid for broadband infrastructure
Dane BadawczeThe dataset encompasses a choice of important legal acts, a list of selected bibliography, and a list of important individual sentences issued on the topic of state aid for building the infrastructure and rendering of broadband services during the period 2007-2013 and 2014-2020, as well as beyond, in the EU Member States. Thanks to that the reader gets...
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Analysis of the possibility of determining the general characteristics using the operational data of a vehicle engine
PublikacjaThe paper presents an analysis of the possibility of determining the general characteristics using the operational data of an engine of refuse collection vehicle. Data acquisition was done by reading information from the CAN network using FMS standard (Fleet Management System), which is widely used in heavy duty vehicles since year 2002. The paper presents the analysis of the expected measurement uncertainties resulting from the...
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Electronic structure and time-dependent description of rotational predissociation of LiH
PublikacjaThe adiabatic potential energy curves of the ^1Sigma+ and ^1Pi states of the LiH molecule were calculated. They correlate asymptotically to atomic states, such as 2s + 1s, 2p + 1s, 3s + 1s, 3p + 1s, 3d + 1s, 4s + 1s, 4p + 1s and 4d + 1s. A very good agreement was found between our calculated spectroscopic parameters and the experimental ones. The dynamics of the rotational predissociation process of the 1^1Pi state were studied...
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The impact of footing conditions of a vertical-axis floating-roof tank on structural shell deformation
PublikacjaStructural shells of fuel tanks are often subjected to geometric imperfections which may lead to exceeding the ultimate and serviceability limit states. One of the means triggering shell deformation is non-uniform settlement caused by incoherent soil conditions. Analysis carried out in the work concerns of vertical-axis, floating-roof cylindrical shell which volume is 50.000 m3, founded on a complex multi-layered soil. The sensitivity...
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The spontaneous electron emission and rotational predissociation lifetimes of the diatomic silver anion
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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CREATING A RANKING OF DIAGNOSTIC PARAMETERS FOR THE DYNAMIC PROCESS OF A MARINE COMBUSTION ENGINE IN THE ASPECT OF MULTI-CRITERIA EVALUATIONS
PublikacjaThe change of some of the engine’s structural parameters affects the change of toxic compound emission in exhaust gases. It mainly applies to the damage sustained by the charge exchange system as well as the fuel system and the engine supercharging system. These changes are definitely higher during dynamic states and the related transient states. As such, it is possible to speak of a diverse sensitivity of the diagnostic parameters...
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Formation of CN (B2∑+) radicals in the vacuum-ultraviolet photodissociation of pyridine and pyrimidine molecules
PublikacjaFormation of the excited CN(B2∑+) free radicals in the photodissociation of pyridine (C5H5N) and pyrimidine (C4H4N2) molecules was investigated over the energy ranges 16–27 and 14.7–25 eV, respectively. Photon-induced fluorescence spectroscopy was applied to detect the vibrationally and rotationally excited CN radicals by recording the B2∑+→X2∑+ emission bands (violet system). The measured dissociation yield curves demonstrate...
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Cross-Bonding of MV Cable Lines for Energy Losses Decrease
PublikacjaCurrently, almost all medium voltage cable lines (MV) operate with the return wires earthed at both ends of the cable. Such a way of operation causes that during normal states of operation as well as during disturbances, e.g. short-circuits, in the return wires induce currents whose values mainly depend on the currents flowing in the phase wires. These currents in normal operating states are a source of additional energy losses...
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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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Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Dane BadawczeHigh accuracy ab initio potential energy curves (1tSigma+, 2sSigma+, 1tPi), electronic transition dipole moment function (1tSigma+ - 1tPi), and spin-orbit coupling (2sSigma+ - 1tPi) have been calculated for the NaRb molecule. The time-dependent excitation and dissociation processes in the polar alkali diatomic NaRb molecule and the quantum properties...
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Sudden death of effective entanglement
PublikacjaSudden death of entanglement is a well-known effect resulting from the finite volume of separable states. We study the case when the observer has a limited measurement capability and analyze the effective entanglement (i.e., entanglement minimized over the output data). We show that in the well-defined system of two quantum dots monitored by single-electron transistors, one may observe a sudden death of effective entanglement when...
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The Dynamic Model of Magnetic Hysteresis
PublikacjaThis paper presents the scalar dynamic magnetic hysteresis model based on the Preisach theory. The important role in this theory played hysteresis operator states. The changes of these operators` states are not immediate in the dynamic model but they are a function of time and parameter k representing the magnetic properties of the material. In this paper the transient state of the hysteresis operator is defined by the nonlinear...
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Potential energy curve, rovibrational energies and nuclear wave functions of 2 singlet Pi state in KLi dimer
Dane BadawczeThis data sets contains potential energy curve, energy levels and nuclear wave functions of rovibrational states of KLi dimer in 2 singlet Pi electronic state. Potential energy curve (PEC) for the electronic state was calculated in the Born-Oppenheimer approximation by the means of effective core potentials and MRCI method. Nuclear wave functions and...
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Dynamical objectivity in quantum Brownian motion
PublikacjaClassical objectivity as a property of quantum states —a view proposed to explain the observer-independent character of our world from quantum theory, is an important step in bridging the quantum-classical gap. It was recently derived in terms of spectrum broadcast structures for small objects embedded in noisy photon-like environments. However, two fundamental problems have arisen: a description of objective motion and applicability...
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Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets
PublikacjaThe article presents adiabatic potential energy curves of the ground and excited electronic states for the diatomic NaK molecule. The calculations were made using the ab initio computational methods to include electron correlation. The studied molecule was calculated as the effective two-electron problem, in which only the valence electrons of the molecule are explicitly taken into account. The remaining electrons with atomic nuclei...
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Stiffness change of abdominal prosthesis Optomesh™ under cyclic loading
PublikacjaAbdominal prostheses are used in humans for abdominal wall strengthening or reconstruction. From the mechanical point of view they are membranes, so their basic mechanical property is tensile stiffness. This property is experimentally identified for a selected implant, OptomeshTM. The obtained results are described herein. Uni-axial simple and cyclic tension tests are a basis for the analysis. Both kinds of tests allowed to distinguish...
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Electron energy-loss spectra of isoxazole
Dane BadawczeThe data set contains numeric values of electron energy-loss spectra measured in isoxazole in the excitation energy range 3.5−10 eV. The data have been published in graphical form (figure 3 and figure 4) in the following paper:Ireneusz Linert, Mariusz Zubek "Excited states of isoxazole molecules studied by electron energy-loss spectroscopy"Journal...
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Electron energy-loss spectra of pyridazine
Dane BadawczeThe data set contains numeric values of electron energy-loss spectra measured in pyridazine in the excitation energy range 2.5−10 eV. The data have been published in graphical form (figures 3 - 6) in the following paper:
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Quantum structure in competing lizard communities
PublikacjaAlmost two decades of research on applications of the mathematical formalism of quantum theory as a modeling tool in domains different from the micro-world has given rise to many successful applications in situations related to human behavior and thought, more specifically in cognitive processes of decision-making and the ways concepts are combined into sentences. In this article, we extend this approach to animal behavior, showing...
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Light‐Driven Multi‐Charge Separation in a Push‐Pull Ruthenium‐Based Photosensitizer – Assessed by RASSCF and TDDFT Simulations
PublikacjaThe performance of photosensitizers in the field of, for example, solar energy conversion, relies on their light-harvesting efficiency in the visible region, population of long-lived charge separated intermediates, as well as their charge-accumulation capacity amongst other properties. In this computational study, we investigate the photophysical properties of a bis(bipyridyl)ruthenium(II)-based black dye (Ru) incorporating a chromophoric...
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Morse cohomology in a Hilbert space via the Conley index
PublikacjaThe main theorem of this paper states that Morse cohomology groups in a Hilbert space are isomorphic to the cohomological Conley index. It is also shown that calculating the cohomological Conley index does not require finite-dimensional approximations of the vector field. Further directions are discussed.
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Do new EU members have any chance of earning as much as Westerns do?
PublikacjaThis article examines the wage dispersion in the European Union in the last ten years (1996-2006). The research is motivated by the fact that New Members States (NMS) expected that wage convergence would occurred after their accession to the EU. At the same time Old Member States (OMS) have been increasingly concerned with the possibility that the EU enlargement could influence their local labor markets and wages through new channels...
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Charge-based deep level transient spectroscopy of B-doped and undoped polycrystalline diamond films
PublikacjaThe undoped and B-doped polycrystalline diamond thin film was synthesized by hot filament chemical vapor deposition and microwave plasma, respectively. The structural characterization was performed by scanning electron microscopy, X-ray diffraction and Raman spectroscopy. The electrical properties of synthesized diamond layer were characterized by dc-conductivity method and charge deep level transient spectroscopy. The B-doped...
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Magnetizability of the relativistic hydrogenlike atom in an arbitrary discrete energy eigenstate: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublikacjaThe Sturmian expansion of the generalized Dirac--Coulomb Green function [R.\/~Szmytkowski, J.\ Phys.\ B 30 (1997) 825; erratum 30 (1997) 2747] is exploited to derive a closed-form expression for the magnetizability of an arbitrary discrete state of the relativistic one-electron atom with a point-like, spinless and motionless nucleus of charge $Ze$. The result has the form of a double finite sum involving the generalized hypergeometric...
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Nuclear magnetic shielding constants of Dirac one-electron atoms in some low-lying discrete energy eigenstates
PublikacjaWe present tabulated data for the nuclear magnetic shielding constants (σ) of the Dirac one-electron atoms with a pointlike, motionless and spinless nucleus of charge Ze. Utilizing the exact general analytical formula for σ derived by us (Stefańska, 2016) valid for an arbitrary discrete energy eigenstate, we have computed the numerical values of the magnetic shielding factors for the ground state and for the first and the second...
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Share of enterprises' expenditure in total R&D expenditure (2009-2011)
Dane BadawczeThe countries with the highest share of enterprises in R&D expenditure are: Finåandia (67%), Germany (65.6%) and Slovenia (61.2%). On the opposite pole are Cyprus (11%), Bulgaria (16.9%) and Latvia (24.8%). The average result for the Member States in 2011 was 54.9%. It is worth noting that the countries that significantly increased the ratio of...
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Limiting distribution of the three-state semi-Markov model of technical state transitions of ship power plant machines and its applicability in operational decision-making.
PublikacjaThe article presents the three-state semi-Markov model of the process {W(t): t 0} of state transitions of a ship power plant machine, with the following interpretation of these states: s1 – state of full serviceability, s2 – state of partial serviceability, and s3 – state of unserviceability. These states are precisely defined for the ship main engine (ME). A hypothesis is proposed which explains the possibility of application...
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Trade in value added of countries involved in TTIP: EU-USA comparison
PublikacjaThe aim of this paper is to present key facts concerning trade in the value added of those countries participating in the Transatlantic Trade and Investment Partnership (TTIP). In particular, we describe how involvement in global production networks (GPN) varies across EU countries with respect to the United States.
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Neural oscillations induced by IAPS pictures (session 24)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 23)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 25)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 26)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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The set of 22 sessions of 14-channel eeg signals recorded during watching pictures
Dane BadawczeThe data were collected in order to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals collected from 10 persons within 22 sessions, during which 45 different random photos taken from the ImageNet...
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Transition dipole moment functions of the KRb molecule
Dane BadawczeElectronic transition dipole moment functions (TDMF) have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. TDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the transition dipole moments...
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Permanent dipole moment functions of the KRb molecule
Dane BadawczeElectronic permanent dipole moment functions (PDMF) have been calculated for the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states of the KRb molecule. PDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the permanent dipole moments have been...
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Neural oscillations induced by IAPS pictures (session 14)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 13)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 16)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 19)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 17)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...