A next step is to consider the surface-particle distance z and curvature (interfacial radius R) dependence of the interactions [1341, for which approximate expressions are [Pg.2840]

The next step, therefore, is to address the question how is it possible to take advantage of the many additional available parameters pulse shaping, multiple pulse sequences, etc—m general an E(t) with arbitrary complexity—to maximize and perhaps obtain perfect selectivity Posing the problem mathematically, one seeks to maximize [Pg.274]

The next step will dciermin e optim i/ation convergence. If the criteria are satisfied, HyperCh em will stop at this point, having found theposition ofihc transition state. If convergence criteria are n ot [Pg.308]

In the next step, the neighbor atoms of the second atom (or the current atom plus 1), which are not yet labeled, are assigned in an equivalent manner. This is done for all the atoms arbitrai y decisions are made when numbering the equivalent atoms (Figure 2-45). [Pg.62]

In the next step, the molecule is fragmented into ring systems and acyclic parts. Ring systems are then separated into small and medium-sized rings with up to nine atoms and into large and flexible systems. [Pg.100]

In the next step, the third conformation is determined by searching for the geome-t y furthest from the first two conformations. This procedure is repeated unless a user-defined number of structures has been generated or no 3D templates arc left to combine. [Pg.109]

In the same time in the next steps of development, FRAMATOME and ONERA [Pg.398]

The iteration with the highest number of equivalent classes is taken for the next step. [Pg.62]

Having defined and gathered data adequate for an initial reserves estimation, the next step is to look at the various options to develop the field. The objective of the feasibility study is to document various technical options, of which at least one should be economically viable. The study will contain the subsurface development options, the process design, equipment sizes, the proposed locations (e.g. offshore platforms), and the crude evacuation and export system. The cases considered will be accompanied by a cost estimate and planning schedule. Such a document gives a complete overview of all the requirements, opportunities, risks and constraints. [Pg.5]

Here, A is an undeteiinined matrix of the coordinates (A is its Hermitian conjugate). Our next step is to obtain an A matrix, which will eventually simplify Eq. (16) by eliminating the Xm matiix. For this purpose, we consider the following expression [Pg.643]

Having calculated the standai d values AyW and S" foi the participants in a chemical reaction, the obvious next step is to calculate the standard Gibbs free energy change of reaction A G and the equilibrium constant from [Pg.163]

The error estimate approximates the error of the propagation with the less accurate method p. Nonetheless, the next step is started with the more precise result of [Pg.404]

The dimension of the matrix is the number of atoms in the n conjugated system. Let us take the three-carbon system allyl as our next step. Concentrate on the end [Pg.189]

After defining the input parameters, the calculation of the trajectories of an incident ion begins with a randomly chosen initial entrance point on the surface. The next step is to find the first collision partner. [Pg.1811]

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