Results 251 to 260 of about 1,073,150 (315)
Electron Affinity of Actinide (IV) Carboxylate Complexes From MN12-L Density-Functional Calculations and Explainable Machine Learning. [PDF]
Khairbek AA +5 more
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Unlocking Strength-Toughness Dilemma in High-Entropy Borides by Intragranular Microstructural Reconstruction. [PDF]
Liu Y +13 more
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Dissolution of Phosphate and Precipitation of Carbonate in the Biomineralization of the Bivalve Shell <i>Limnoperna fortunei</i>. [PDF]
Cardoso AV, Ferreira RN.
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Surface-modified FeCo nanoparticles: magnetic dilution and structure-magnetism relationships. [PDF]
The Huy B +5 more
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Journal of Chemical Theory and Computation, 2008
The total electron density distribution of an isolated atom or an atom in a molecule does not reveal an atomic shell structure. Many localization functions, such as the radial averaged electron density, the Laplacian of the electron density, or the electron localization function have been proposed to visualize and analyze the shell structure of atoms ...
Eickerling, Georg, Reiher, Markus
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The total electron density distribution of an isolated atom or an atom in a molecule does not reveal an atomic shell structure. Many localization functions, such as the radial averaged electron density, the Laplacian of the electron density, or the electron localization function have been proposed to visualize and analyze the shell structure of atoms ...
Eickerling, Georg, Reiher, Markus
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Physical Review A, 1985
Cross sections for the K-shell ionization of medium-heavy atoms by relativistic electrons have been calculated in a relativistic framework in the Coulomb gauge to order ..cap alpha../sub 0/ ( = e/sup 2//hc) in the interaction Hamiltonian. Here exchange is neglected. The incident- and scattered-electron wave functions are described by Dirac plane waves.
, Das, , Chakraborty
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Cross sections for the K-shell ionization of medium-heavy atoms by relativistic electrons have been calculated in a relativistic framework in the Coulomb gauge to order ..cap alpha../sub 0/ ( = e/sup 2//hc) in the interaction Hamiltonian. Here exchange is neglected. The incident- and scattered-electron wave functions are described by Dirac plane waves.
, Das, , Chakraborty
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Journal of Molecular Structure: THEOCHEM, 1996
Abstract The average local electrostatic potential function, V(r) ϱ(r) , is calculated for 87 atoms and the corresponding monopositive and mononegative ions in the ground state, using the nonrelativistic average-over-configuration numerical Hartree-Fock density.
K.D. Sen, T.V. Gayatri, Helge Toufar
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Abstract The average local electrostatic potential function, V(r) ϱ(r) , is calculated for 87 atoms and the corresponding monopositive and mononegative ions in the ground state, using the nonrelativistic average-over-configuration numerical Hartree-Fock density.
K.D. Sen, T.V. Gayatri, Helge Toufar
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Electronic shells and shells of atoms in metallic clusters
Zeitschrift für Physik D Atoms, Molecules and Clusters, 1991Intensity anomalies (magic numbers) have been observed in the mass spectra of sodium clusters containing up to 22 000 atoms. For small clusters (Nan,n≤1500) the anomalies appear to be due to the filling of electronic shells (groups of subshells having the same energy).
T. P. Martin +3 more
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Atomic force microscopy of virus shells
Biochemical Society Transactions, 2017Microscopes are used to characterize small objects with the help of probes that interact with the specimen, such as photons and electrons in optical and electron microscopies, respectively. In atomic force microscopy (AFM), the probe is a nanometric tip located at the end of a microcantilever which palpates the specimen under study just as a blind ...
Francisco, Moreno-Madrid +7 more
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