Imagine for a moment that the exploration activities carried out in the previous section have resulted in a successful discovery well. Some time will have passed before the results of the exploration campaign have been evaluated and documented. The next step will be the appraisal of the accumulation, and therefore at some stage a number of additional appraisal wells will be required. The following section will focus on these drilling activities, and will also investigate the interactions between the drilling team and the other E P functions. [Pg.29]

So, a comparison of different types of magnetic field sensors is possible by using the impulse response function. High amplitude and small width of this bell-formed function represent a high local resolution and a high signal-to-noise-characteristic of a sensor system. On the other hand the impulse response can be used for calculation of an unknown output. In a next step it will be shown a solution of an inverse eddy-current testing problem. [Pg.372]

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

The detection of the profile edges gives the projected wall thickness in pixels of the image data. The next step of data processing is the compensation of the magnification factor in the used tangential projection method. [Pg.520]

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]

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]

Calculations using the semiempirical PM3 method with standard convergence criteria of 0.0003 aii on the maximum component of the gradient vector and either an energy change from the previous cycle of < 10 hartree or a maximum predicted displacement for the next step of < 0.0003 au. [Pg.2345]

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]

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]

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

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]

Clearly, the next step is the handling of a molecule as a real object with a spatial extension in 3D space. Quite often this is also a mandatory step, because in most cases the 3D structure of a molecule is closely related to a large variety of physical, chemical, and biological properties. In addition, the fundamental importance of an unambiguous definition of stereochemistry becomes obvious, if the 3D structure of a molecule needs to be derived from its chemical graph. The moleofles of stereoisomeric compounds differ in their spatial features and often exhibit quite different properties. Therefore, stereochemical information should always be taken into ac-count if chiral atom centers are present in a chemical structure. [Pg.91]

In the next step, the suggested models are translated into 3D space by subsequently combining the templates. Again, each model is assessed and ranked according to various structural criteria, such as the geometric fit of the 3D templates and non-bonding interactions (steric clashes). If none of the solu-... [Pg.99]

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]

The initial step is to identify which database, from a few thousands worldwide (about 10 000 in 2002), provides the requested information. The next step is to determine which subsection of the topic is of interest, and to identify typical search terms or keywords (synonyms, homonyms, different languages, or abbreviations) (Table 5-1). During the search in a database, this strategy is then executed (money is charged for spending time on some chemical databases). The resulting hits may be further refined by combining keywords or database fields, respectively, with Boolean operators (Table 5-2). The final results should be saved in electronic or printed form. [Pg.230]

The next step towards increasing the accuracy in estimating molecular properties is to use different contributions for atoms in different hybridi2ation states. This simple extension is sufficient to reproduce mean molecular polarizabilities to within 1-3 % of the experimental value. The estimation of mean molecular polarizabilities from atomic refractions has a long history, dating back to around 1911 [7], Miller and Sav-chik were the first to propose a method that considered atom hybridization in which each atom is characterized by its state of atomic hybridization [8]. They derived a formula for calculating these contributions on the basis of a theoretical interpretation of variational perturbation results and on the basis of molecular orbital theory. [Pg.322]

The next step in iin proving a basis set could be to go to triple zeta, quadruple zeta, etc. Ifone goes in this direction rather than adding functions of higher angular quantum number, the basis set would not be well balanced. With a large number of s and p functions only, one finds, for example, that the equilibrium geometry of am monia actually becomes planar. The next step beyond double z.ela n sit ally in voices addin g polarization fn n ciion s, i.e.. addin g d-... [Pg.260]

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]

Step 7 - if the solution has converged stop otherwise go to the next step. Step 8 - update viscosity and elastic stresses and go to step 2,... [Pg.169]

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 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]

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