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Terminal attractions

R F W Bader s theory of atoms in molecules [Bader 1985] provides an alternative way to partition the electrons between the atoms in a molecule. Bader s theory has been applied to many different problems, but for the purposes of our present discussion we will concentrate on its use in partitioning electron density. The Bader approach is based upon the concept of a gradient vector path, which is a cuiwe around the molecule such that it is always perpendicular to the electron density contours. A set of gradient paths is drawn in Figure 2.14 for formamide. As can be seen, some of the gradient paths terminate at the atomic nuclei. Other gradient paths are attracted to points (called critical points) that are... [Pg.100]

Allenes 2000-1915 (m-s) Two bands when terminal allene or when bonded to electron-attracting groups... [Pg.738]

If now the wires are disconnected, the attractive force remains. However, if the two electrometer terminals are connected by a copper wire the spheres return to their original positions and hang vertically again. The attraction is lost. [Pg.75]

These pentahydrides have attracted attention as catalysts for hydrogenation of the double bond in alkenes. IrH5(PPr3)2 catalyses vinylic H-D exchange between terminal alkenes and benzene, the isomerization of a,f3-ynones, isomerization of unsaturated alcohols and dehydrogenation of molecules such as secondary alcohols [176],... [Pg.162]

The L-B film studied consists of two-layer organic molecules. The first layer of the L-B film is adsorbed on silicon substrate by the polarization terminals of the molecules. During the micro friction test, the probe contacted with the polarization terminal of the second layer. As a result, there was a special attractive force between the polarization terminal of the second layer and the probe. Therefore, the L-B film does not have the function of reducing friction force under the current experimental condition. [Pg.194]

Rate of Formation of Primary Precursors. A steady state radical balance was used to calculate the concentration of the copolymer oligomer radicals in the aqueous phase. This balance equated the radical generation rate with the sum of the rates of radical termination and of radical entry into the particles and precursors. The calculation of the entry rate coefficients was based on the hypothesis that radical entry is governed by mass transfer through a surface film in parallel with bulk diffusion/electrostatic attraction/repulsion of an oligomer with a latex particle but in series with a limiting rate determining step (Richards, J. R. et al. J. AppI. Polv. Sci.. in press). Initiator efficiency was... [Pg.365]

The details of how preproteins are translocated have not been fully elucidated. It is possible that the electric potential associated with the inner mitochondrial membrane causes a conformational change in the unfolded preprotein being translocated and that this helps to puU it across. Furthermore, the fact that the matrix is more negative than the intermembrane space may attract the positively charged amino terminal of the preprotein... [Pg.499]

Although decision trees contain a number of attractive features, including competitive accuracy, when considered strictly as classification devices (Saraiva and Stephanopoulos, 1992a), the most important point for our purposes is that each of the tree s terminal nodes identifies a particular hyperrectangle in the decision space, X, associated with a given y value. For example, node M defines a y = excellent rectangle that corresponds to the following rule ... [Pg.114]


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