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Charge density alterations in human hair fibers: an investigation using electrostatic force microscopy
(Society of Cosmetic Scientists and the Société Française de Cosmétologie, 2021)
Development and evaluation of a many-electron-multicenter classical-trajectory Monte Carlo model in charge-exchange processes involving collisions of multiply charged ions and CO
(American Physical Society, 2013-07-29)
A many-electron-multicenter classical-trajectory Monte Carlo model is developed and tested in charge-exchange studies involving projectiles with charges from +3 to +10 and the CO molecule. The present model is contrasted ...
Core ionization energies, mean dipole moment derivatives, and simple potential models for B, N, O, F, P, Cl, and Br atoms in molecules
(Amer Chemical SocWashingtonEUA, 2002)
Galilean invariance of the Schrodinger equation in the adiabatic approximation: The central-field method
(American Physical SocCollege PkEUA, 1996)
Neutralization of Li+ ions scattered by the Cu (100) and (111) surfaces: A localized picture of the atom-surface interaction
(Elsevier, 2008-12)
Large and face dependent neutral fractions have been found recently in the scattering of Li+ by Cu(1 0 0) and Cu(1 1 1) surfaces. These results for high work function surfaces are unexpected within the ‘traditional’ picture ...
Nanotubes for charge storage - Towards an atomistic model
(Pergamon-Elsevier Science Ltd, 2015-04)
We examine the insertion of alkali and halide ions into narrow nanotubes of graphite and gold by density functional theory (DFT). For tubes with diameters less than about 10 Åthe optimum position of the ion is in the center ...
Atomic Charges and the Electrostatic Potential Are Ill-Defined in Degenerate Ground States
(American Chemical Society, 2013)
A system in a spatially degenerate ground state
responds in a qualitatively different way to positive and
negative point charges. This means that the molecular
electrostatic potential is ill-defined for degenerate ...
Role of electron saddle swaps in the photon spectra following Li 3 + charge-exchange collisions with H ∗ ( n = 2), Na(3 s ), Na ∗ (3 p ), and Li(2 s ) targets
(American Physical Society, 2014-02)
The role of electron saddle swaps in collisions of bare Li with metastable hydrogen and alkali-metal atoms is investigated by means of the classical trajectory Monte Carlo method. In particular, we show that oscillations ...