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Search results for: ELECTRONIC DENSITY OF STATES
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The complete lists of 1D reversible number-conserving cellular automata with radius one of up to 7 states
Open Research DataThis dataset contains complete lists of all one-dimensional reversible number-conserving k-ary cellular automata with radius one of up to 7 states, i.e. with state sets {0,1}, {0,1,2}, {0,1,2,3}, {0,1,2,3,4}, {0,1,2,3,4,5} and {0,1,2,3,4,5,6}.
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Open porosity and oven-dry density of concretes containing magnetite aggregate (M0-M100) mixes
Open Research DataRaw data for determination of open porosity and oven-dry densities of concretes containing different amount of magnetite aggregate (M0-M100) mixes. Sample designation is related to the publication associated with dataset.
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Interaction of PDA monomers with Au
Open Research DataThis dataset contains supplementary information in the form of Electrostatic difference potential (EDP) map, density of states (DOS) spectra, and adsorption geometries of polydopamine PDA monomers on the Au surface. PDA was modelled either as the oxidised (indolequinone, IQ) and reduced (dihydroxyindole, DHI) chemistries.
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Ex-situ XRD (X-ray Diffraction) results for electrodes under different charge/discharge states
Open Research DataEx-situ XRD was employed to analyze the energy storage mechanism of CPMD in ZICs system. The ZICs were firstly charged to 1.8 V from the open circuit voltage (at around 1.3 V), then discharge to 1.0 V and 0.2 V, and finally recharged to 1.0 V and 1.8 V. Sample abbreviations (CPMD) are in agreement with the markings used in the linked publication.
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Interactions of PDA tetramers with the Au surfaces
Open Research DataThis dataset contains electrostatic difference potential (EDP) maps, density of states (DOS) spectra, and adsorption geometries of cyclic tetramers on the Au surface. The real polydopamine was modelled either as the cyclic tetramers in the oxidised (indolequinone, IQ) and reduced (dihydroxyindole, DHI) chemistries with all units being the same - either...
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The XAS spectra of O-K edges, Fe-L edges in pristine, La-, and Nb-doped SFM in 3 states: as-prepared, reduced and reoxidized
Open Research DataThis dataset contains the normalized and exported to *.txt spectra for x-ray absorption spectroscopy. The samples analyzed were strontium ferrite molybdate based, doped with lanthanum and niobium. The powders were measured in as-prepared state (denoted in filename as AP), reduced (red) and reoxidized (reox). The filenames are written accordingly: Edge_(optional:...
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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
Open Research DataElectronic 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 curves of LiCs dimer
Open Research DataThis data presents potential energy curves of LiCs dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron correlation. Dataset consists of 22 potential...
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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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Quasirelativistic potential energy curves of NaRb dimer
Open Research DataThis data presents potential energy curves of NaRb dimer, that include spin-orbit interaction, in Hund's case (c). Calculated using Born-Oppenheimer approximation with relativistic effects included via large spin-orbit effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron...
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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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Potential energy curves of NaRb dimer
Open Research DataThis data presents potential energy curves of NaRb dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Core polarization potentials and MRCI method is used to describe electron correlation. Dataset consists of 18 potential energy curves of ground...
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Description of symmetrical prolate ellipsoid (sphere) magnetic signature parameters-Be = 50 mT, I = 70 deg, z = -10 m, a =4 m, e = 1, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid (sphere) magnetic signature parameters-Be = 50 mT, I = 70 deg, z = -100 m, a =4 m, e = 1, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid (sphere) magnetic signature parameters-Be = 50 mT, I = 70 deg, z = -50 m, a =4 m, e = 1, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid (sphere) magnetic signature parameters-Be = 50 mT, I = 70 deg, z = -10 m, a =4 m, e = 1, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid (sphere) magnetic signature parameters-Be = 50 mT, I = 70 deg, z = -20 m, a =4 m, e = 1, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – inclination of the Earth magnetic field.
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Description of parameters of symmetrical prolate ellipsoid magnetic signature.
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 50 m, q = 80 deg, j = 45 deg, a =4 m, e = 8, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 100 m, q = 90 deg, j = 135 deg, a =4 m, e = 1, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 10 m, q = 100 deg, j = 45 deg, a =4 m, e = 4, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 20 m, q = 100 deg, j = 45 deg, a =4 m, e = 8, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 200 m, q = 90 deg, j = 45 deg, a =4 m, e = 1, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 50 m, q = 100 deg, j = 45 deg, a =4 m, e = 8, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 200 m, q = 80 deg, j = 45 deg, a =4 m, e = 8, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 100 m, q = 90 deg, j = 45 deg, a =4 m, e = 4, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters -Be = 50 mT, I = 70 deg, z = 10 m, q = 80 deg, j = 45 deg, a =4 m, e = 8, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 100 m, q = 100 deg, j = 45 deg, a =4 m, e = 8, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 20 m, q = 100 deg, j = 90 deg, a =4 m, e = 4, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 10 m, q = 90 deg, j = 45 deg, a =4 m, e = 4, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 200 m, q = 80 deg, j = 45 deg, a =4 m, e = 4, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 10 m, q = 90 deg, j = 45 deg, a =4 m, e = 8, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters- Be = 50 mT, I = 70 deg, z = 100 m, q = 80 deg, j = 45 deg, a =4 m, e = 4, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 10 m, q = 90 deg, j = 90 deg, a =4 m, e = 1, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 50 m, q = 90 deg, j = 45 deg, a =4 m, e = 8, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 200 m, q = 100 deg, j = 45 deg, a =4 m, e = 4, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 50 m, q = 80 deg, j = 45 deg, a =4 m, e = 4, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 100 m, q = 90 deg, j = 45 deg, a =4 m, e = 8, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 100 m, q = 80 deg, j = 45 deg, a =4 m, e = 8, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 20 m, q = 80 deg, j = 45 deg, a =4 m, e = 4, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 20 m, q = 90 deg, j = 135 deg, a =4 m, e = 1, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 50 m, q = 90 deg, j = 45 deg, a =4 m, e = 1, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 10 m, q = 80 deg, j = 45 deg, a =4 m, e = 4, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 200 m, q = 90 deg, j = 45 deg, a =4 m, e = 4, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 20 m, q = 90 deg, j = 45 deg, a =4 m, e = 4, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 20 m, q = 90 deg, j = 45 deg, a =4 m, e = 8, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 20 m, q = 80 deg, j = 45 deg, a =4 m, e = 8, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 10 m, q = 100 deg, j = 45 deg, a =4 m, e = 8, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 200 m, q = 90 deg, j = 45 deg, a =4 m, e = 8, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.
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Description of symmetrical prolate ellipsoid magnetic signature parameters-Be = 50 mT, I = 70 deg, z = 100 m, q = 100 deg, j = 45 deg, a =4 m, e = 4, mr = 100
Open Research DataThe Earth magnetic field (Fig.1): BE – total magnetic flux density, BEx – x component of the Earth magnetic flux density, BEy = 0 y component of the Earth magnetic flux density, BEz – z component of the Earth magnetic flux density, I – the inclination of the Earth magnetic field.