The journal of physical chemistry. B, 115(16), 4768-4773 (2011-04-06)
On the basis of molecular dynamics simulations, we investigate water permeation across a single-walled carbon nanotube (SWCNT) under the influence of four symmetrical half-rings, each having six LiF dipolar molecules. The flux remains almost fixed as the separation, R, between
We report a femtosecond crystallographic study of the dependence of the free-carries generation to the alignment of a crystalline sample to the laser polarization. The probe pulse transmission exhibits a π/2 modulation that is shown to be correlated with the
Laboratory studies have shown that ordinary household salt (NaCl) exhibits several promising properties for retrospective dosimetry; e.g., a linear dose response and a low detection limit, down to a few mGy or even less. In an attempt to test NaCl
The implementation of local control theory using nonadiabatic molecular dynamics within the framework of linear-response time-dependent density functional theory is discussed. The method is applied to study the photoexcitation of lithium fluoride, for which we demonstrate that this approach can
The availability of macroscopic, nearly periodic structures known as eutectics opens a new path for controlling light at wavelength scales determined by the geometrical parameters of these materials and the intrinsic properties of their component phases. Here, we analyze the
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