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Search results for: ELECTRONIC STRUCTURE
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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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Electronic conductivity in the SiO2-PbO-Fe2O3 glass containing magnetic nanostructures
PublicationThe linear impedance spectra of iron–silicate–lead glass samples were measured in the frequency range from 1 MHz to 1 MHz and in the temperature range from 153 K to 423 K. The structure was investigated by means of XRD and atomic force microscopy. Local electrical and magnetic properties of the samples were tested with the aid of electrostatic force microscopy (EFM) and magnetic force microscopy (MFM). The obtained results show...
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Ligand-Modified Boron-Doped Diamond Surface: DFT Insights into the Electronic Properties of Biofunctionalization
PublicationWith the increasing power of computation systems, theoretical calculations provide a means for quick determination of material properties, laying out a research plan, and lowering material development costs. One of the most common is Density Functional Theory (DFT), which allows us to simulate the structure of chemical molecules or crystals and their interaction. In developing a new generation of biosensors, understanding the nature...
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Electronic Noses and Electronic Tongues
PublicationChapter 7 reports the achievements on the field of artificial senses, such as electronic nose and electronic tongue. It examines multivariate data processing methods and demonstrates a promising potential for rapid routine analysis. Main attention is focused on detailed description of sensor used, construction and principle of operation of these systems. A brief review about the progress in the field of artificial senses and future trends...
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IDENTIFICATION OF ODOR OF VOLATILE ORGANIC COMPOUNDS USING CLASSICAL SENSORY ANALYSIS AND ELECTRONIC NOSE TECHNIQUE
PublicationThe paper compares two methods of analysis of odour of volatile organic compounds: classical sensory analysis and electronic nose technique. Eight volunteers participated in the classical sensory analysis investigations, which lasted two weeks. An instrumental odour analysis involved a prototype of 6-sensor electronic nose designed by the authors. The research performed with this device provided higher reproducibility and reliability...
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Low-Voltage Low-Power Filters with Independent ω0 and Q Tuning for Electronic Cochlea Applications
PublicationAn acoustic second-order low-pass filter is proposed for filter banks emulating the operation of a human cochlea. By using a special filter structure and an innovative quality (Q)-factor tuning technique, an independent change of the cutoff frequency (ω0) and the Q-factor with unchanged gain at low frequencies is achieved in this filter. The techniques applied result in a simple filter design with low Q-factor sensitivity to component...
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Metal ion directed template synthesis using 2-acetyl-1,3-indandione and ethylenediamine: steric and electronic restrictions
PublicationA template synthesis using 2-acetyl-1,3-indandione and ethylenediamine results in formation of octahedral Ni complex, whose crystal structure has been resolved using single crystal X-ray diffraction. The structure indicates that only exocyclic enolic oxygen atom of the triketone takes part in the condensation with ethylenediamine.
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Electronic and ionic relaxations in strontium-borate glass and glass-ceramics containing bismuth and vanadium oxides
PublicationThe topography, microstructure and electrical properties of strontium-borate glass and SBO glass containing bismuth and vanadium oxides, were studied. The structure was measured using X-ray diffraction (XRD), Energy Dispersive X-ray Spectrometer (EDS) and Scanning electron microscope (SEM) methods. The A.C. complex conductivity was investigated as a function of temperature and frequency. The influence of the quantity of bismuth...
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Coplanar Waveguide-Fed Broadband Microwave Devices with (or without) a Thin Dielectric Substrate for Use in Flexible Electronic Systems
PublicationTwo examples of microwave devices, fed by a coplanar waveguide and realized on a thin substrate (or without such a substrate), are employed to investigate the influence of devices’ curvatures and the proximity of different materials on their parameters. To perform the tests, a broadband antenna and a low-pass filter are chosen. A feeding coplanar waveguide is realized on a dielectric material brick attached to an SMA connector...
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Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate
PublicationThe high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5−10.7 eV (275.5−116.0 nm). Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Also, the photoabsorption cross sections...
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Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations
PublicationThe high-resolution vacuum ultraviolet photoabsorption spectrum of isobutyl acetate, C6H12O2, is presented here and was measured over the energy range 4.3–10.8 eV (290–115 nm). Valence and Rydberg transitions with their associated vibronic series have been observed in the photoabsorption spectrum and are assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. The measured...
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A facile method for Tauc exponent and corresponding electronic transitions determination in semiconductors directly from UV–Vis spectroscopy data
PublicationIn this work, a facile method allowing for estimation of the exponent in the Tauc equation directly from the UV–vis spectra is presented. It is based on the Taylor expansion of the logarithmic version of the Tauc equation. The Tauc exponent is calculated from the tangent slope of the absorption data. Knowledge of this coefficient provides information about the optical transition types and is used as an input for the calculations...
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Conducted emi identification in power electronic converters : modeling of EMI generation and propagation using circuit simulation and wiener filtering methods.
PublicationThis work presents the circuit simulations and the conventional signal processing technique (Wiener filtering) in order to reconstruct conducted ElectroMagnetic Interferences (EMI), generated and propagated in power electronics converters. In the simulation study, the most accurate presently available models of components of circuit have been used and improved. The proposed Wiener filtering method allows to identifying the transfer...
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Innowacyjność a Electronic Commerce
PublicationInnowacyjność jest kluczem do konkurencyjności w przemyśle. Przedsiębiorstwa powinny wprowadzać, rozwijać i sprzedawać nowe technologie. Promocja innowacyjności i wspieranie udziału MSP,są ściśle powiązane w tworzonej polityce innowacyjnej UE. Przeanalizowano programy UE wspierania innowacyjności i rozwijania technologi ICT przez MSP.
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Electronic Noses in Medical Diagnostics
PublicationElectronic nose technology is being developed in order to identify aromas in a way parallel to the biologic olfaction. When applied to the field of medicine, such device should be able to identify and discriminate between different diseases. In recent years this kind of approach finds application in medical diagnostics, and especially in disease screening. Despite the fact that devices utilizing chemical sensor arrays are not routinely...
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Open Research DataThe developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic...
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Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides
PublicationThe crystallographic, electronic transport and thermal properties of Ca2PdGe3 and Ca2PtGe3 are reported. The compounds crystalize in an ordered variant of the AlB2 crystal structure, in space group P6/mmm, with the lattice parameters a = 8.4876(4) Å/8.4503(5) Å and c = 4.1911(3) Å/4.2302(3) Å for Ca2PdGe3 and Ca2PtGe3, respectively. The resistivity data exhibit metallic behavior with residual-resistivity-ratios (RRR) of 13 for...
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Noncentrosymmetric Triangular Magnet CaMnTeO6: Strong Quantum Fluctuations and Role of s0 versus s2 Electronic States in Competing Exchange Interactions
PublicationNoncentrosymmetric triangular magnets offer a unique platform for realizing strong quantum fluctuations. However, designing these quantum materials remains an open challenge attributable to a knowledge gap in the tunability of competing exchange interactions at the atomic level. Here, a new noncentrosymmetric triangular S = 3/2 magnet CaMnTeO6 is created based on careful chemical and physical considerations. The model material...
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Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations
PublicationThe highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5−10.7 eV (275.5−118.0 nm) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator...
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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublicationAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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High gain/bandwidth off‑chip antenna loaded with metamaterial unit‑cell impedance matching circuit for sub‑terahertz near‑field electronic systems
PublicationAn innovative off-chip antenna (OCA) is presented that exhibits high gain and efficiency performance at the terahertz (THz) band and has a wide operational bandwidth. The proposed OCA is implemented on stacked silicon layers and consists of an open circuit meandering line. It is shown that by loading the antenna with an array of subwavelength circular dielectric slots and terminating it with a metamaterial unit cell, its impedance...
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Crystal structure, chemical bonding, and physical properties of layered AIrSn2 (A = Sr and Ba)
PublicationWe report the experimental and theoretical investigation of structure, chemical bonding interactions, and physical properties of new ternary stannides AIrSn2 (A = Sr and Ba). AIrSn2 (A = Sr and Ba) crystallizes in the orthorhombic Re3B-type structure with the space group Cmcm (No. 64). According to single-crystal X-ray diffraction results, the structure of AIrSn2 (A = Sr and Ba) can be considered as a Zintl-type compound with heterogeneous...
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Internet entrepreneurship in electronic business
PublicationZaproponowano klasyfikację przedsięwzięć Internetowych. Zaprezentowano szereg reprezentatywnych przykładów. Wyszczególniono poszczególne etapy rozwoju działalności gospodarczej w Internecie. Zwrócono uwagę zarówno na aspekty technologiczne, jak i formy pozyskiwania kapitału inwestycyjnego podwyższonego ryzyka. Artykuł może stanowić źródło odniesienia dla przedsiębiorców pragnących otworzyć działalność gospodarczą w Internecie lub...
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Electronic nose - idea and applications
PublicationPrzedstawiono koncepcję nosa elektronicznego, z wykorzystaniem pomiarów i analizy zjawisk fluktuacyjnych w rezystancyjnych czujnikach gazów. Przybliżono problemy pomiarów szumów m.cz. oraz sposoby ich analizy. Opisano szereg przykładowych zastosowań takiego urządzenia.
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Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations
PublicationThe highest resolution vacuum ultraviolet photoabsorption spectrum of ethyl formate, C2H5OCHO, yet reported is presented over the wavelength range 115.0–275.5 nm (10.75–4.5 eV) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series, observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies...
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Current Trends in Wick Structure Construction in Loop Heat Pipes Applications: A Review
PublicationThermal control systems have been introduced as an important part of electronic devices, enabling thermal management of their electronic components. Loop heat pipe (LHP) is a passive two-phase heat transfer device with significant potential for numerous applications, such as aerospace applications, high-power LEDs, and solar central receivers. Its advantages are high heat transfer capability, low thermal resistance, long-distance...
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Machine Learning and Electronic Noses for Medical Diagnostics
PublicationThe need for noninvasive, easy-to-use, and inexpensive methods for point-of-care diagnostics of a variety of ailments motivates researchers to develop methods for analyzing complex biological samples, in particular human breath, that could aid in screening and early diagnosis. There are hopes that electronic noses, that is, devices based on arrays of semiselective or nonselective chemical sensors, can fill this niche. Electronic...
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Electronic Noses for Indoor Air Quality Assessment
PublicationThis chapter presents a proposal of the use of electronic noses in the monitoring of indoor air quality. The main focus is put on the detailed characteristics of today’s indoor air quality control methods, the types of pollution in the air, and the development of electronic noses for air testing. Currently, scientists seek methodological and structural solutions that would enable real-time online indoor air control. It has been...
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An electronic nose for quantitative determination of gas concentrations
PublicationThe practical application of human nose for fragrance recognition is severely limited by the fact that our sense of smell is subjective and gets tired easily. Consequen tly, there is considerable need for an instrument that can be a substitution of the human sense of smell. Electronic nose devices from the mid 1980s are used in growing number of applications. They comprise an array of several electrochemical gas sensors...
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Superconductivity in CaBi2
PublicationSuperconductivity is observed with critical temperature Tc = 2.0 K in self-flux-grown single crystals of CaBi2. This material adopts the ZrSi2 structure type with lattice parameters a = 4.696(1) Å, b = 17.081(2) Å and c = 4.611(1) Å. The crystals of CaBi2 were studied by means of magnetic susceptibility, specific heat and electrical resistivity measurements. The heat capacity jump at Tc is DC/gTc = 1.41, confirming bulk superconductivity;...
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Structural and electronic properties of diamond-composed heterostructures
PublicationDiamond is a promising material for 21st century electronics due to its high thermal and electronic conductivity, biocompatibility, chemical stability, high wear resistance, and possibility of doping. However, the semiconductor properties of diamond, especially free-standing films, have not been fully explored. Nor have their integration with polymers and fragile materials and their applications as electronic components. In this...
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The surface of a fragment of the structure of an integrated circuit in the semi-contact mode.
Open Research DataThe surface of a fragment of the structure of an integrated circuit. Topographic measurements in the semi-contact mode. NTEGRA Prima (NT-MDT) device. NSG 01 probe.
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The ab initio and experimental study of the spectroscopic and magnetic properties of Ho(III)-EDTA
Open Research DataIn this dataset, the ab initio calculations of the electronic structure and the magnetic properties are discussed in the context of the experimental data for the Ho–EDTA complex. In the calculations different models of the cluster have been applied to examine the influence of various parts of the environment of the Ho(III)-EDTA complex on its properties....
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Supramolecular junctions of the PDA tetramers
Open Research DataIn this dataset, a set of polydopamine (PDA) supramolecular junctions with linear and cyclic tetramers in different oxidation states (indolequinone , IQ or dihydroxyindole, DHI) in the scattering region are investigated. Electronic structure of the supramolecular junction with cyclic and linear PDA tetramers, including Electron density maps for the...
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Designing intranet portals as electronic workplaces
PublicationThis paper highlights the most important requirements for developing intranet portals, especially in the areas of user interface ergonomics and usability. In specifying relevant usability requirements both perspectives are considered: of company employees and of executives. Best practices are reviewed, regarding successes and failures in intranet absorption, basing on the results on recent research in a number of surveyed Polish...
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Exploitation of Electronic Devices - Selected Issues
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Electronic and Photonic Systems Wilga 2014
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Electronic and Photonic Systems Wilga 2014
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Electronic Circuits for Graphene-Based Biosensor
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Electronic and ionic relaxations in oxide glasses
PublicationDokonano przeglądu procesów relaksacyjnych w szkłach wykazujących elektronowy i elektronowo-jonowy charakter przewodnictwa elektrycznego. Na podstawie badań impedancyjnych przedstawiono klasyfikację szkieł o mieszanym elektronowo-jonowym przewodnictwie. Wskazano na zalety metody tarcia wewnętrznego do badań procesów relaksacyjnych w szkłach tlenkowych.
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Measurement platform for training of electronic nose
PublicationW pracy zaprezentowano platformę do badania elektronicznego nosa. Zaproponowane rozwiązanie umożliwia trening elektronicznego nosa oraz pomiar charakterystyk czujników gazów.
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The 41Σ+ electronic state of LiCs molecule
PublicationThe 41Σ+ state of LiCs molecule is observed experimentally for the first time. The inverted perturbation approach (IPA) method is used to derive the potential energy curve of the state from the measured spectra. The experiment is accompanied by theoretical calculations of adiabatic potentials for excited states in LiCs including 41Σ+, performed with the MOLPRO program package. The irregular shape of the 41Σ+ state potential predicted...
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Electronic excitation of H2O by positron impact
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Superconductivity in a new intermetallic structure type based on endohedral Ta@Ir7Ge4 clusters
PublicationWe report the observation of superconductivity at a temperature near 3.5 K for the previously unreported compound TaIr2Ge2. In addition to being a superconductor, this material displays a new crystal structure type that contains endohedral clusters, as determined by single-crystal x-ray diffraction structure refinement; the structure is more complex than those of the commonly observed tetragonal 122 intermetallic phases. Despite...
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Quality assurance of alcoholic beverages by electronic nose
PublicationQuality is very important attribute of every alcoholic beverage. It is very significant to satisfy consumers and assure food quality. Flavour, colour and taste constitute a great matter not only for connoisseurs. Due to these features, the whole manufacturing process need to be monitored. This paper presents a high-class devices useful in assessing of beverage quality. Electronic noses offer quick real-time analysis, which is very...
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TaRh 2 B 2 and NbRh 2 B 2 : Superconductors with a chiral noncentrosymmetric crystal structure
PublicationIt is a fundamental truth in solid compounds that the physical properties follow the symmetry of the crystal structure. Nowhere is the effect of symmetry more pronounced than in the electronic and magnetic properties of materials—even the projection of the bulk crystal symmetry onto different crystal faces is known to have a substantial impact on the surface electronic states. The effect of bulk crystal symmetry on the properties...
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Superconductivity and appearance of negative magnetocaloric effect in Ba1–xKxBiO3 perovskites, doped by Y, La and Pr
PublicationRecently, substantial attention is given to the bismuth-based perovskites for variety of electronic applications. The perovskites are used for quantum dots displays (QLED), photovoltaic systems and superconducting (HTS) devices. In this paper comprehensive studies of Ba1–xKxBi1–yREyO3 bismuth perovskites (REBKBO, RE = Y , La or Pr) are reported. Apart from structural anomalous behavior at low temperatures, the electronic properties...
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The Use of Electronic Nose for Sunflower and Rapeseed Oil Classification
PublicationThe electronic nose is an analytical device often used in food industries to examine the authenticity of their products. The use of the electronic nose allows for a rapid assessment of the quality of food. The oil samples from sunflower and rapeseed were used in this study. Both oil samples were kept inside the thermostat incubator at different ranging from 20oC to 180oC with increment of 40oC. Principal Component Analysis (PCA)...
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The Use of Electronic Nose for Sunflower and Rapeseed Oil Classification
PublicationThe electronic nose is an analytical device often used in food industries to examine the authenticity of their products. The use of the electronic nose allows for a rapid assessment of the quality of food. The oil samples from sunflower and rapeseed were used in this study. Both oil samples were kept inside the thermostat incubator at different ranging from 20oC to 180oC with increment of 40oC. Principal Component Analysis (PCA)...
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Decision making techniques for electronic communication: an example for Turkey
PublicationCommunication is the way for people exchanging information with each other by using various tools. Electronic communication or Ecommunication is the process of sending, receiving and processing information or messages electronically. Electronic communication that is closely related to the development levels of countries, has made considerable progress especially in terms technology, innovation and entrepreneur. In this study, it...