Design and electrodynamic characteristics of the accelerating interdigital structure have been calculated in the 3D version.
Selectivity, regenerability, purity, isosteric heat and working capacity values, for each structure, have been calculated from simulations, providing a rather complete evaluation of adsorbents' performance.
The lattice energies of the four methyl paraben structures have been calculated with a range of methods based on ab initio electronic calculations on either the crystal or single molecule.
Simulations on test structures have been calculated along with in photoresist simulations to predict the impact on process window capability.
In the present study air flows through several structures have been calculated explicitly using the standard Navier Stokes equations.
The frequencies of the structures have been calculated to verify the absence of imaginary frequencies indicating the structures are at a minimum on the potential energy surface.
Quality factor (Q) for both these structures have been calculated using finite difference time domain (FDTD) method and found a maximum Q value of 224 for SiC and 213 for Si PhC cavity structures.
In this work, a series of complexes of C6F5X (X = Br and I) with several pyridine molecules, which were extracted from crystal structures, have been calculated at the M05-2x level of theory.
