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The van der Waals contribution of force fields designed for calculating phase equilibria and thermodynamic properties are usually adjusted to experimental data of pure components.
A new class of discrete random fields designed for quick simulation and covariance inference under inhomogeneous conditions is introduced and studied.
We have been developing force fields designed for the eventual simulation of peptides and proteins using the Kirkwood Buff (KB) theory of solutions as a guide.
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The force field designed for CO2 adsorption in zeolites has been extended with the parameters for the CO2/Ir4 interactions, taking the Density Functional Theory (DFT) energies as a reference.
Classical force fields and the force fields designed specifically for ILs have been found to yield diffusion coefficients, that are too low for the liquid state.
Two extra fields designed specifically for this study were included to assess the potential impact of missing chart documentation on the quality of dating ultrasound information.
These types of fields are designed for large scale solar electricity production.
This strategy is based on selectively relaxed vector fields, specifically designed for the component to be machined.
A seven-compartment chromatographic column with longitudinal (L), oscillatory transverse (T) or two-dimensional (2D) electric fields was designed for the studies.
The five channels comprise two E-field channels and three B-field channels, designed for the AMT and CSAMT modules, and three E-field channels designed for the three E-dipole signals in the SIP module.
The ball field is designed for children with disabilities.
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