ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
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.
Additional Material:
2 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560200209
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