about
sameAs
Theoretical Calculation of Absolute Radii of Atoms and Ions. Part 1. The Atomic RadiiSelf‐Consistent Molecular‐Orbital Methods. I. Use of Gaussian Expansions of Slater‐Type Atomic OrbitalsReversible modulation of spontaneous emission by strain in silicon nanowires.Two-dimensional NMR measurement and point dipole model prediction of paramagnetic shift tensors in solids.Nonadiabatic orientation, toroidal current, and induced magnetic field in BeO molecules.The Bethe-Slater curve revisited; new insights from electronic structure theory.Delocalized electronic behavior observed in transition metal oxide clusters under strong-field excitation.Surface structure. Subatomic resolution force microscopy reveals internal structure and adsorption sites of small iron clusters.Single-molecule imaging with longer X-ray laser pulses.Evidence for 5d-σ and 5d-π covalency in lanthanide sesquioxides from oxygen K-edge X-ray absorption spectroscopy.Path integrals for electronic densities, reactivity indices, and localization functions in quantum systems.Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory.Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. I. Coulomb and hybrid integrals.Electronic energy levels with the help of trajectory-guided random grid of coupled wave packets. I. Six-dimensional simulation of H2.Chemical shift driven geometry optimization.How O2 binds to heme: reasons for rapid binding and spin inversion.Efficient algorithms for Hirshfeld-I charges.Towards visualisation of central-cell-effects in scanning tunnelling microscope images of subsurface dopant qubits in silicon.Electronic structures of elements according to ionization energies.Atomic and Ionic Radii of Elements 1-96.Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides.Solution of the Dirac equation using the Rayleigh-Ritz method: Flexible basis coupling large and small components. Results for one-electron systems.Microscopic Origin of Heisenberg and Non-Heisenberg Exchange Interactions in Ferromagnetic bcc Fe.Benchmark values for molecular three-center integrals arising in the Dirac equation.Efficient calculation of integrals in mixed ramp-Gaussian basis sets.Cupric ion in blue proteins.Methods of calculating ionization energies of multielectron (five or more) isoelectronic atomic ions.Spatial metrology of dopants in silicon with exact lattice site precision.A divide and conquer real-space approach for all-electron molecular electrostatic potentials and interaction energies.Identifying the 'inorganic gene' for high-temperature piezoelectric perovskites through statistical learning.Geometry optimization using tuned and balanced redistributed charge schemes for combined quantum mechanical and molecular mechanical calculations.Computation of methodology-independent ionic solvation free energies from molecular simulations. I. The electrostatic potential in molecular liquids.Benchmark all-electron ab initio quantum Monte Carlo calculations for small molecules.Deprotonation dynamics of local anesthetics in hydrophobic media: dibucaine.HCl in water/alcohol or surfactant mixtures.Efficient density-functional theory integrations by locally augmented radial grids.Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets.Possible role of inner-shell ionization phenomena in cell inactivation by heavy ions.Collective multielectron tunneling ionization in strong fieldsElectron correlation within the relativistic no-pair approximation.Orbital-exchange and fractional quantum number excitations in an f-electron metal, Yb₂Pt₂Pb.
P2860
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P2860
description
1930 nî lūn-bûn
@nan
1930 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
1930 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
1930年の論文
@ja
1930年論文
@yue
1930年論文
@zh-hant
1930年論文
@zh-hk
1930年論文
@zh-mo
1930年論文
@zh-tw
1930年论文
@wuu
name
Atomic Shielding Constants
@ast
Atomic Shielding Constants
@en
Atomic Shielding Constants
@en-gb
type
label
Atomic Shielding Constants
@ast
Atomic Shielding Constants
@en
Atomic Shielding Constants
@en-gb
prefLabel
Atomic Shielding Constants
@ast
Atomic Shielding Constants
@en
Atomic Shielding Constants
@en-gb
P356
P1433
P1476
Atomic Shielding Constants
@en
P2093
J. C. Slater
P356
10.1103/PHYSREV.36.57
P407
P577
1930-07-01T00:00:00Z