نتایج جستجو برای: explicit and implicit solvation models
تعداد نتایج: 16933240 فیلتر نتایج به سال:
In the standard approach, particle methods for the Boltzmann equation are obtained using an explicit time discretization of the spatially homogeneous Boltzmann equation. This kind of discretization leads to a restriction on the discretization parameter as well as on the diierential cross section in the case of the general Boltzmann equation. Recently, it was shown, how to construct an implicit ...
Over the last few years, Tanzania has witnessed an increased usage and awareness of e-Government services. This is welcome news to all stakeholders in ensuring that services offered by the government and communications between the government and citizens are efficient and effective. Despite the good news, the reality in most cases has been that the e-Government projects are implemented as techn...
In the last years the interest in computer simulations of radioactive waste scenarios has increased. In this article we present numerical simulations with the software package TRAPRO. We consider a system of convection-diffusion-reaction-equations, that we coupled by their reaction terms. We present a new discretization method that improves the explicit discretization for the transportand react...
Some biomechanical models are represented by nonlinear first order ordinary differential equations. The objective of this study is to determine the velocity of a biomechanical model that involves a cyclist coasting downhill. Two methods namely; the modified explicit and diagonally implicit fifth–order Runge–Kutta methods are utilised. The performance of the two methods is compared with the exac...
A 2D Large Time Step (LTS) explicit scheme on structured grids is presented in this work. It is first detailed and analysed for the 2D linear advection equation and then applied to the 2D shallow water equations. The dimensional splitting technique allows us to extend the ideas developed in the 1D case related to source terms, boundary conditions and the reduction of the time step in the presen...
A central theme in contemporary psychology is the distinction between implicit and explicit evaluations. Research has shown various dissociations between the two kinds of evaluations, including different antecedents, different consequences, and discrepant evaluations of the same object. The associative– propositional evaluation (APE) model accounts for these dissociations by conceptualizing imp...
In this paper we report on a principal-agent experiment where the principal can choose whether to rely on an unenforcable bonus contract or to combine the bonus contract with a fine if the agent’s effort falls below a minimum standard. We show that most principals do not use the fine and that the pure bonus contract is more efficient than the combined contract. Our experiment suggests that prin...
We show how to descritize the Korteweg-de Vries (KdV) equation in such a way as to preserve all the Lie point symmetries of the continuous differential equation. It is shown that, for a centered implicit scheme, there are at least two possible ways of doing so.
Design frequently involves a series of tradeoffs to obtain the “optimal” solution to a design problem. Green roofs have many different characteristics based on a variety of variables. Designers typically weigh the impacts of these characteristics in an implicit process based on intuition or past experience. But since vegetated roofing is a relatively complex and comparatively new technology to ...
This paper provides extensions to the theory and the computational aspects of the Fellegi-Holt Model of Editing (JASA 1976). If implicit edits can be generated prior to editing, then error localization (finding the minimum number of fields to impute) can be quite rapid. In some situations, not all of the implicit edits can be generated because of the great number (> 10^30) of distinct edit patt...
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