Force effects intramolecular

Inter- and intramolecular force effects. These effects result either from the interactions between the substituent and its immediate surroundings such as the medium, a surface or a receptor site, or from the effect of the substituent on the interactions of the skeletal group G and the active site Y with their surroundings. 

Coulomb Force and Intramolecular Energy Flow Effects for Vibrational Energy Transfer for Small Molecules in Polar Solvents... 

In a polymeric sohd conditions are more complex. There are both in-termolecular van der Waals forces and intramolecular covalent forces and, furthermore, the microscopic structure is amorphous or only partially crystalline. Microscopic fracture mechanisms are, therefore, more involved and also include chain slippage and chain scission. The latter process can occur in fully extended sequences that are anchored with their ends in crystallites or immobile entanglements, by a combined effect of mechanical stress and thermal fluctuations. Even if the situation is complicated, based on some rough knowledge of the bond energies and intermolecular forces one can still obtain some estimate of the theoretical limits of strength. Comparing it to measured... 

The effective intramolecular interactions between the segments are approximated by entropic harmonic interactions, reflecting the Gaussian character of the large-scale chain conformation. Intermolecular interactions (with the surrounding viscous medium) are taken into account by friction and stochastic forces acting on the segments. 

Substituting this expression in Eq. 100 reproduces the effectively intramolecular entropic force acting on the segment, which is exactly equal to... 

Various other interactions have been considered as the driving force for spin-state transitions such as the Jahn-Teller coupling between the d electrons and a local distortion [73], the coupling between the metal ion and an intramolecular distortion [74, 75, 76] or the coupling between the d electrons and the lattice strain [77, 78]. At present, based on the available experimental evidence, the contribution of these interactions cannot be definitely assessed. Moreover, all these models are mathematically rather ambitious and do not show the intuitively simple structure inherent in the effect of a variation of molecular volume considered here. Their discussion has to be deferred to a more specialized study. 

The success of such reactions depends on the intramolecular hydrogen transfer being faster than hydrogen atom abstraction from the stannane reagent. In the example shown, hydrogen transfer is favored by the thermodynamic driving force of radical stabilization, by the intramolecular nature of the hydrogen transfer, and by the steric effects of the central quaternary carbon. This substitution pattern often favors intramolecular reactions as a result of conformational effects. 

Flexible force field models require 30 or more beads in Cartesian path integral descriptions to obtain converged intramolecular energies. Rigid water models require only about five beads due to the weaker intermolecular quantum effects. 

Inter- and intramolecular forces (imf) are of vital importance in the quantitative description of structural effects on bioactivities and chemical properties. They can make a significant contribution to chemical reactivities and some physical properties as well. Types of intermolecular forces and their present parameterization are listed in Table 750. 

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