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Binding force energy, bond

The LIE method has also been used with continuum electrostatic methods. Nicolotti et al. (27) have published a nice report on this use of the LIE method for screening benzamidine inhibitors of thrombin. Another recent study used the atom-bond electronegativity equalization method on force field with the generalized Born (GB) continuum electrostatics approach to predict binding free energies of HIV-1 protease inhibitors (28). [Pg.100]

In gases and liquids, intramolecular bonds are only affected to a certain degree by the recoil due to a mononuclear or binuclear reaction occurring in an atom of a molecule or by the kinetic energy transmitted to an atom by an incident projectile. Molecules in gases and liquids are mobile and the intermolecular binding forces are small, provided that the pressure is not too high. [Pg.181]

The energies of single bonds provide fundamental information, but the strength of a textile fibre depends on the sum of all the bonds and other binding forces. This is expressed as the cohesive force of standard length of the chain molecule. Some comparative figures in Table 2.4 are quoted from Fibre Science (Textile Institute). [Pg.26]

To summarize, we may assume now that the formation of a covalent bond results from the concentration of (paired) electrons in the internu-clear region, which leads to a strong binding force and a concomitant decrease of the mean electronic potential energy. [Pg.13]


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Binding energie

Binding energy

Binding forces

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