Ideal distances

In some cases (such as torsional barrier terms) it is possible to do this definitively, while in others (such as valence angle deformation force constants and ideal distances and angles) it is not. However, useful starting points for the empirical refinement can be derived from experiment. 

Collection of numbers that parameterize the potential energy functions. These include the force constants, the ideal distances and angles, and parameters for van der Waals, electrostatic and other terms. Since the force field parameters are dependent on the potential energy functions, the entire set of functions and parameters are sometimes referred to as the force field . 

The indexes / and k in the last term represent either O or H, i and / label water molecules e and o are the Letmard-Jones energy well depth and radius, respectively, the superscript ° is used to label reference (idealized) distances k. are force constants and N the number of water molecules in the simulations. The... 

The next neighbors occur when a third particle is connected by HB to the two particles 1 and 2. The ideal distance for this configuration is R = VSRh, which in our computation falls close to R = 1.8. The radial distribution function g(R) shows a second peak at this distance (Fig. 2.39). The full correlation function at R = 1.8 is... 

Fig. 4.36 The distance between the oxygen atoms in the model compound is similar to the ideal distance of the second nearest neighbors in ice.

Electrodes modified with films obtained from polymerization of CoTAPc (cobalt tetraamino phthalocyanine) show two waves for the reduction of O2. At low polarizations two-electron reduction waves are observed with the formation of peroxide and a four-electron reduction to form water is observed at higher polarizations It is not clear why these polymeric films can promote the four-electron pathway. It can be argued that within the polymeric films Co atoms belonging to different MN4 units become separated by the ideal distance for O2 to bind to two cobalt centers forming a bridge. However there are no detailed studies of the structures of these polymeric films to clarify this point. A similar behavior has been observed with adsorbed layers of vitamin B12 where a four-electron reduction mechanism is observed at high polarizations " . In all these cases, it is likely that O2 interacts with one single site at the time and vitamin B12 is still able to promote four-electron reduction process. 

Energy Consumed during Cruising (kWh) Cruising Distance (km) % of Ideal Distance Cruising Distance (km) %of Ideal Distance Efficiency Increase (%)... 

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