Potential energies associated with

Molecules have potential energy associated with electric forces that bind the atoms together. In a chemical reaction liberating energy—heat, for exam-... 

As the parts of the molecule pass by one another, the potential energy associated with their interaction changes. Repulsive interactions that occur if parts of the molecule get too close will cause the potential energy to increase, while attractive interactions will reduce the potential energy. 

Fig. 81.—Potential energy associated with bond rotation as a function of angle, (a) Symmetrical potential according to Eq. (23) (b) and (c) potential energy functions with lowest minimum at 0=0 corresponding to the planar zigzag form of a polymethylene chain. These curves were calculated by Taylor. 0...

Gravitational potential energy (associated with the attraction between separated masses)... 

Typical potential energies associated with such a Hamiltonian are shown in Figure 4 as a function of the parameter 0 = x/2J. The coordinate is the antisymmetric combination. The symmetric mode clearly adds a term to the total energy independent of coupling. 

Keesom relationship phys chem An equation for the potential energy associated with the interaction of the dipole moments of two polar molecules. ka-sam ri la-sh3n,ship ... 

The spacings between the various vibrational energy levels depend on the potential energy associated with bond stretching (see Section 9.3.2). The data from the spectroscopic experiments thus permit the derivation of that potential energy function in a straightforward way. 

Considering all quadratic combinations of these variables, the potential energy associated with atom i is found to be... 

The potential energies associated with various clay surface interactions can be combined to yield an extended-DLYO mathematical representation of the net particle stability... 

If U is taken to be the volume V of the cell, the last two terms represent respectively the kinetic and the potential energies associated with motion of the simulation wall whose mass is M. The parameter P is the uniform hydrostatic external pressure acting on the simulation cell wall. 

The physical system and the scaled system are related by Eq. (6). The scaling of velocities permits the exchange of heat between the simulated and the external heat reservoir. The equations of motion for the N atoms and the scaling factor g are solved numerically and averages calculated from the trajectory. The special choice (/+ I) kTo In g for the potential energy associated with g guarantees that the averages of equilibrium quantities calculated from the MD trajectory are the same as those in the canonical ensemble. 

Each displacement component contributes two terms to Equation 3.58 one, proportional to p, arises from the kinetic energy associated with film translation another, proportional to arises from the potential energy associated with film strains (modes shown in Figure 3.29). The kinetic contribution causes a SAW velocity decrease in proportion to film mass per area (pfc) — the mass loading contribution. 

Let US first examine current practice in nomenclature of the phenom-menon of internal rotation. Standard textbooks on conformational analysis on the one hand and those on spectroscopy on the other hand deal differently with the basic definitions. Internal rotation is measured by one or more torsion angles (dihedral angles, azimuthal angles). In the simple cases of e.g. a 1,2-disubstituted ethane the potential energy associated with the internal rotation may be written in a formal sense as a truncated Fourier expansion ... 

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