Study of molecular polarizabilities of some amino and polyamino acids

0020-7608

Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Wiley InterScience Backfile Collection 1832-2000

Chemistry and Pharmacology

Molecular polarizabilities of glycine, L-alanine, L-proline, and polygylcine I and II have been calculated by the Lippincott delta function potential model, the atomic polarization method, and the atom-dipole interaction model. In the atom-dipole interaction model the molecular polarizabilities are dependent on atomic (or group) polarizabilities and positional coordinates of the atoms (or groups) constituting the molecule and are conformation dependent. Those obtained from the other two methods are conformation independent and dependent on bond properties only. The results are compared with those obtained from the Kerr effect and molar refraction data.

2 Tab.

Electronic Resource