نتایج جستجو برای: reaction dynamics

تعداد نتایج: 840220  

Journal: :International Journal of Quantum Chemistry 2014

Journal: :Journal of Molecular Catalysis A: Chemical 2010

2007
Jifa Jiang Junping Shi JUNPING SHI

The precise dynamics of a reaction-diffusion model of autocatalytic chemical reaction is described. It is shown that exactly either one, two, or three steady states exists, and the solution of dynamical problem always approaches to one of steady states in the long run. Moreover it is shown that a global codimension one manifold separates the basins of attraction of the two stable steady states....

Journal: :Faraday discussions 2016
Wei Zhang Carsten Hartmann Christof Schütte

In molecular dynamics and related fields one considers dynamical descriptions of complex systems in full (atomic) detail. In order to reduce the overwhelming complexity of realistic systems (high dimension, large timescale spread, limited computational resources) the projection of the full dynamics onto some reaction coordinates is examined in order to extract statistical information like free ...

Journal: Iranian Economic Review 2017
Ahmad Jafari Samimi Jalal Montazeri Shoorekchali Saeed Karimi Petanlar

Abstract T his paper is to convince the usage of the nonlinear unit root tests when dealing with a nonlinear model. To do so, the stationary test for variables in a model titles “Fiscal Reaction Function in Iran” has been applied according to both the ordinary and the Nonlinear Dickey-Fuller (NDF) tests. Results show that while variables under investigation are stationary ...

Journal: :Physical review. E, Statistical, nonlinear, and soft matter physics 2004
John K Brennan Martin Lísal Keith E Gubbins Betsy M Rice

A molecular simulation method to study the dynamics of chemically reacting mixtures is presented. The method uses a combination of stochastic and dynamic simulation steps, allowing for the simulation of both thermodynamic and transport properties. The method couples a molecular dynamics simulation cell (termed dynamic cell) to a reaction mixture simulation cell (termed control cell) that is for...

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