Morse molecule

Morse [119] introduced a potential energy model for tire vibrations of bound molecules... 

Morse P M 1929 Diatomic molecules according to the wave mechanics II. Vibrational levels Phys. Rev. 34 57... 

D Molecule Representation of Structures Based on Electron Diffraction Code (3D MoRSE Code)... 

Steinhauer and Gasteiger [30] developed a new 3D descriptor based on the idea of radial distribution functions (RDFs), which is well known in physics and physico-chemistry in general and in X-ray diffraction in particular [31], The radial distribution function code (RDF code) is closely related to the 3D-MoRSE code. The RDF code is calculated by Eq. (25), where/is a scaling factor, N is the number of atoms in the molecule, p/ and pj are properties of the atoms i and/ B is a smoothing parameter, and Tij is the distance between the atoms i and j g(r) is usually calculated at a number of discrete points within defined intervals [32, 33]. 

The Morse function rises more steeply ihan ihe harmonic potential at short bonding distances. This difference can be important especially during molecular dynamics simulations, where thermal energy takes a molecule away from a potential minimum. ... 

To assay the amount of LBP, first an excess amount of luciferin is added to the sample at pH 8 to saturate the binding site of LBP, and then the excess luciferin is removed by gel filtration using a small column of Sephadex G-25 (about 1 ml volume) also at pH 8. The luciferin-bound LBP is eluted at the void volume. To measure the amount of LBP, the following assay buffer is added to a small portion of the elu-ate 0.2 M phosphate, pH 6.3, containing 0.25 mM EDTA, 0.1 mg/ml of BSA, and luciferase (Morse and Mittag, 2000). The total light obtained represents a relative amount of LBP the absolute amount (the weight or the number of molecules) cannot be obtained because the quantum yield of the luminescence reaction is not known. 

The principle of action and counteraction impose the condition that the acting external force must be balanced by the internal molecular forces. For an isolated diatomic molecule, this internal force (also called the binding force) is given by the derivative of the Morse potential (Fig. 19) ... 

The hard-core limiting forms of U(r) do not lead to physically acceptable results. We conclude that this is caused by a complete neglect of the effect of the attractive forces on the slope of the repulsive part in U(r). If the interaction energy is assumed as the sum of a Morse exponential function and the polarization energy evaluated at r = r°, the resulting transition probabilities appear useful for analyzing ion-molecule collisions. 

An approximation to the potential U(R) for a diatomic molecule is the Morse potential... 

Figure 10.2 The Morse potential for the ground state of a diatomic molecule.

This time period is too short for a change in geometry to occur (molecular vibrations are much slower). Hence the initially formed excited state must have the same geometry as the ground state. This is illustrated in Figure 1.2 for a simple diatomic molecule. The curves shown in this figure are called Morse curves and represent the relative energy of the diatomic system as a... 

Roth, K.M., Zhou, Y., Yang, W. and Morse, D.E. (2005) Bifunctional small molecules are biomimetic catalysts for silica synthesis at neutral pH. Journal of the American Chemical Society, 127, 325-330. 

Longuet-Higgins phase-based treatment, three-particle reactive system, 157-168 MORBID Hamiltonian, Renner-Teller effect, triatomic molecules, benchmark handling, 621-623 Morse oscillator ... 

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