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Wyniki wyszukiwania dla: ELECTRONIC-PROPERTIES
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The ab initio and experimental study of the spectroscopic and magnetic properties of Ho(III)-EDTA
Dane BadawczeIn 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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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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Impact of binary mixtures of diclofenac and buthylparaben of the model organism Saccharomyces Cerevisiae (using XenoScreen YES/YAS test)
Dane BadawczeData shown in data set illustrate the results of the edorin processes of miture of diclofenac and buthylparaben on S cerevisiae is used as a model organism in the monitoring of endocrine disruptors in environmental and reference samples in Xenometrix® systems - XenoScreen®. Tested substances have bakeriosis and fungicide properties and are used in...
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Impact of binary mixtures of two parabens (Methylparaben and Buthylparaben) on endocrine processes of the model organism Saccharomyces Cerevisiae (using XenoScreen YES/YAS test)
Dane BadawczeData shown in data set illustrate the results of the endocrine processes of mixtures of two parabens e.i. methylparaben and buthylparaben. S cerevisiae is used as a model organism in the monitoring of endocrine disruptors in environmental and reference samples in Xenometrix® systems - XenoScreen®. Tested substances have bacteriostatic and fungicide...
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Impact of binary mixtures of Irgasan (triclosan) and two parabens on endocrine processes of the model organism Saccharomyces Cerevisiae (using XenoScreen YES/YAS test)
Dane BadawczeData shown in data set illustrate the results of the edorin processes of the Irgasan (triclosan) mixture with two parabens e.i. methylparaben and buthylparaben. S cerevisiae is used as a model organism in the monitoring of endocrine disruptors in environmental and reference samples in Xenometrix® systems - XenoScreen®. Tested substances have bakeriosis...
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Impact of binary mixtures of Irgasan (triclosan) and Diclofenac on endocrine processes of the model organism Saccharomyces Cerevisiae (using XenoScreen YES/YAS test)
Dane BadawczeThe XenoScreen YES/YAS reagents and methodology is given in Kudłak et al. (2019) and in details in electronic supplementary material.
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Impact of binary mixtures of diclofenac and on endocrine processes of the model organism Saccharomyces Cerevisiae (using XenoScreen YES/YAS test)
Dane BadawczeData shown in data set highlighte the results of the edorin processes of the diclofenac sodium salt mixture with Methylparaben. S cerevisiae is used as a model organism in the monitoring of endocrine disruptors in environmental and reference samples in Xenometrix® systems - XenoScreen®. Methylparaben have fungicide properties used in food preservative,...
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Impact of binary mixtures of triclosan and methylparaben on endocrine processes of the model organism Saccharomyces Cerevisiae (using XenoScreen YES/YAS test) - with controls
Dane BadawczeData shown in data set illustrate the results of the endocrine processes of mixtures of triclosan and methylparaben with controls for YES agonsit, YES antagonist, YAS agonist and YAS antagonist. S cerevisiae is used as a model organism in the monitoring of endocrine disruptors in environmental and reference samples in Xenometrix® systems - XenoScreen®....
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Data on the number of submitted declarations divided into electronic and paper between January 2020 and December 2020
Dane BadawczeThe following data concern the number of declarations submitted between January and December 2020 to the Polish Ministry of Finance. The declarations concern all taxes, including income taxes and VAT. The data has been divided into particular categories, i.e. paper and electronic declarations.
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Data on the number of submitted declarations divided into electronic and paper between January 2021 and February 2021
Dane BadawczeThe following data concern the number of declarations submitted between January and February 2021 to the Polish Ministry of Finance. The declarations concern all taxes, including income taxes and VAT. The data has been divided into particular categories, i.e. paper and electronic declarations.
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Number of devices accepting electronic payment instruments per million inhabitants in EU countries 2015
Dane BadawczeThis research data presents the number of devices accepting electronic payment instruments per million inhabitants in the EU countries in 2015. It is an element of the so-called the banking index, which in the subject literature is defined as the number of people actively using services banking. It is noted that this coefficient is also an expression...
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
Dane BadawczeThis data presents potential energy surfaces of Li atom interacting with LiCs dimer for the ground and first excited state. They were calculated using effective core potentials and MRCI method and include relativistic effects. The interatomic distance in the dimer is kept constant and equal to experimental value of 6.931704423 bohrs (3.6681 A). Energy...
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Electronic transition dipole moment functions of the second triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the second triplet Sigma ungerade plus (2tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the third singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma gerade plus (3sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the third triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the third triplet Sigma ungerade plus (3tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the fourth triplet Sigma ungerade plus (4tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the fourth singlet Sigma gerade plus (4sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the second singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma gerade plus (2sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fifth singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the fifth singlet Sigma gerade plus (5sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fifth triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the fifth triplet Sigma ungerade plus (5tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma gerade plus (1sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first triplet Sigma ungerade plus (1tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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AFM imaging of surface of modern soldering alloy
Dane BadawczeFollowing the announcement in 2006 of European Union directives aimed at limiting the use of lead in electronic products, there was an urgent need to use lead-free solders in the electronics industry. Due to production requirements, it is necessary to use solders with different melting points. To replace the low-melting eutectic Sn 37 wt. Pb, the most...
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Electronic transition dipole moment functions of the first singlet Delta gerade and first triplet Delta ungerade states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first singlet Delta gerade (1sDg) and first triplet Delta ungerade (1tDu) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the first singlet Pi gerade and first triplet Pi gerade states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first singlet Pi gerade (1sPg) and first triplet Pi gerade (1tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the second singlet Pi gerade and second triplet Pi gerade states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the second singlet Pi gerade (2sPg) and second triplet Pi gerade (2tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Dual role of oxygen-related defects in the luminescence kinetics of AlNMn2+
Dane BadawczeThis dataset presents the impact of temperature and pressure on AlN:Mn2+ luminescence kinetics. Unusual behavior of Mn2+ optical properties during UV excitation is observed, where a strong afterglow luminescence of Mn2+ occurs even at low temperatures. When the temperature increases, the contribution of the afterglow luminescence is further enhanced,...
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Electronic transition dipole moment functions of the second singlet Sigma ungerade plus and second triplet Sigma gerade plus states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma ungerade plus (2sSu+) and second triplet Sigma gerade plus (2tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the first singlet Sigma ungerade plus and first triplet Sigma gerade plus states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma ungerade plus (1sSu+) and first triplet Sigma gerade plus (1tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the third singlet Sigma ungerade plus and third triplet Sigma gerade plus states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma ungerade plus (3sSu+) and third triplet Sigma gerade plus (3tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Measurements of radiation emission of a portable power bank with a capacity of 5200 mAh
Dane BadawczeThe dataset contains the emission measurement results that are part of comprehensive tests carried out for portable power banks with different capacities. The measurements were performed in the frequency range from 30 MHz to 3 GHz using a Gigahertz Transverse Electromagnetic (GTEM) cell. The test setup was configured to measure a portable power bank...
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Measurements of radiation emission of a portable power bank with a capacity of 2600 mAh
Dane BadawczeThe dataset contains the emission measurement results that are part of comprehensive tests carried out for portable power banks with different capacities. The measurements were performed in the frequency range from 30 MHz to 3 GHz using a Gigahertz Transverse Electromagnetic (GTEM) cell. The test setup was configured to measure a portable power bank...
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Number of mobile banking users who log into the bank at least once a month from a mobile device (telephone or smartphone) - 2017
Dane BadawczeElectronic banking should be understood broadly. Therefore, taking into account also other channels, the number of users using mobile electronic devices (smartphone, tablet) should be mentioned. Also in this case, there was an increase in the number of people using this channel of access to their bank account. At the end of 2017, nearly 9 million people...
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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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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Dane BadawczeThe 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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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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Born-Oppenheimer potential energy curves of the NaK molecule
Dane BadawczeAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Pi, and Delta electronic states have been calculated for the NaK molecule. All results of the presented molecular states 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 KRb molecule
Dane BadawczeAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states have been calculated for the KRb molecule. Presented APECs correlate with 11 atomic asymptotes, starting from ground K(4s)+Rb(5s) atomic limit and ending on double-excited K(4p)+Rb(5p) atomic limit. All results of the presented...
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The standard radiated immunity test of an astable multivibrator at a normative field strength
Dane BadawczeThe dataset presents a result of measurements that are a part of electromagnetic field immunity tests. The radiated, radio frequency, immunity tests were carried out for a typical astable electronic multivibrator. Tests of immunity of electronic systems to radiated radio frequency (RF) disturbances in the frequency range from 80 MHz to 1 GHz are performed...
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Non-adiabatic coupling elements between the diatomic silver anion and neutral silver dimer plus continuum electron
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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The surface of the sensor used in the analysis of odorous substances
Dane BadawczeHuman industrial activity usually leads to smaller or larger interference with the ecosystem, contributing to changes affecting the quality of life. An example may be the emission of gaseous substances, not necessarily toxic, but due to their intense smell, they can cause discomfort to people exposed to their inhalation. The problem is so important...
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The number of individual clients who log in to the bank using internet banking at least once a month (2017)
Dane BadawczeTaking into account active users, i.e. those who have used Internet access at least once, the situation is a bit different. Out of 32.5 million people who have access to electronic banking, 14.7 million people worked at least once a month (data as at the end of 2017). It is worth noting, however, that in this group there was also an increase in the...
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Supramolecular junctions of the PDA tetramers
Dane BadawczeIn 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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Number of active HCE cards installed in mobile phones (2017)
Dane BadawczeHCE technology (Host Card Emulation), which enables contactless payments by phone in a similar way as in the case of a payment card. At the time of making the transaction, the phone is close to the terminal, practically the same as the payment card. This solution, like the others described previously, should be included in the elements of electronic...
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The radiated immunity test of an astable multivibrator for various supply voltages
Dane BadawczeThe dataset presents a result of measurements that are a part of electromagnetic field immunity tests. The radiated, radio frequency, immunity tests were carried out for a typical astable electronic multivibrator supplied from a power supply with an output voltage of 6V and 7.5 V. Tests of immunity of electronic systems to radiated radio frequency (RF)...
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The radiated immunity test of an astable multivibrator in the frequency range from 100 MHz to 300 MHz
Dane BadawczeThe dataset presents a result of measurements that are a part of electromagnetic field immunity tests. The radiated, radio frequency, immunity tests were carried out for a typical astable electronic multivibrator. Tests of immunity of electronic systems to radiated radio frequency (RF) disturbances in the frequency range from 100 MHz to 300 MHz were...
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Spin-Orbit Coupling Matrix Elements in the KRb Molecule
Dane BadawczeThe allowed 190 spin-orbit coupling (SOC) matrix elements have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. These SOCs are needed for investigations of areas connected with classical spectroscopy, deperturbation analysis of the observed spectra, atom-molecule and molecule-molecule...
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The radiated immunity test of an astable multivibrator at over-normative field strengths
Dane BadawczeThe dataset presents a result of measurements that are a part of electromagnetic field immunity tests. The radiated, radio frequency, immunity tests were carried out for a typical astable electronic multivibrator. Tests of immunity of electronic systems to radiated radio frequency (RF) disturbances in the frequency range from 80 MHz to 1 GHz were performed...
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Number of individual clients who have signed an agreement enabling the use of internet banking (2017)
Dane BadawczeThe data show that at the end of 2017, 32.5 million people in Poland had the opportunity to use internet banking, i.e. signed an agreement enabling the use of internet banking. It is worth noting, however, that the so-called passive users - people who have access, but do not have to log into their account via an internet connection.