GENERATING REACTION COORDINATES BY THE PAULlNG RELATION
نویسنده
چکیده
RA-, =RA-&), R,-c = RB__c@) (5) These two parametric equations uniquely determine a trajectory which we shall call the BEBO RC. This we compare to the minimum energy path on the appropriate potential energy surface (PES). A good agreement is known to exist for H2 + H PES (see fig. 1 of ref. [3] and ref. [4]) and for H2 + F [4] where the PES of Bender et al. [5] has been used. The aim of this letter is to check a dozen more examples and also to propose a possible generaIization of eq. (1).
منابع مشابه
Modeling of Optimal Distances of Surveying Stations for Monitoring Astable Engineering Structures Using Geodetic Methods
Large and astable engineering structures are the great importance and the behavior of such structures is usually made in Geotechnical and Geodetic methods (engineering geodesy). In the geodetic methods, the selection of appropriate surveying stations, in terms of distribution, locations, and distant of the target points to stations the control network, have a significant role in determining th...
متن کاملSolitonic generation of five-dimensional black ring solution
Using the solitonic solution-generating technique we rederived the one-rotational five-dimensional black ring solution found by Emparan and Reall. The seed solution is not the Minkowski metric, which is the seed of S-rotating black ring. The obtained solution has more parameters than the Emparan and Reall’s S-rotating black ring. We found the conditions of parameters to reduce the solution to t...
متن کاملComputing Hopf Bifurcations in Chemical Reaction Networks Using Reaction Coordinates
The analysis of dynamic of chemical reaction networks by computing Hopf bifurcation is a method to understand the qualitative behavior of the network due to its relation to the existence of oscillations. For low dimensional reaction systems without additional constraints Hopf bifurcation can be computed by reducing the question of its occurrence to quantifier elimination problems on real closed...
متن کاملTransforming Geocentric Cartesian Coordinates to Geodetic Coordinates by a New Initial Value Calculation Paradigm
Transforming geocentric Cartesian coordinates (X, Y, Z) to geodetic curvilinear coordinates (φ, λ, h) on a biaxial ellipsoid is one of the problems used in satellite positioning, coordinates conversion between reference systems, astronomy and geodetic calculations. For this purpose, various methods including Closed-form, Vector method and Fixed-point method have been developed. In this paper, a...
متن کاملSimulation of Styrene Polymerization in Arbitrary Cross-Sectional Duct Reactors by Boundary-Fitted Coordinate Transformation Method
The non-orthogonal boundary-fitted coordinate transformation method is applied to the solution of steady three-dimensional conservation equations of mass, momentum, energy and speciescontinuity to obtain the laminar velocity, temperature and concentration fields for simulation of polymerization of styrene in arbitrary cross-sectional duct reactors. Variable physical properties (except for speci...
متن کامل