ISSN:
1022-1344
Keywords:
Chemistry
;
Polymer and Materials Science
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Physics
Notes:
Slow internal rotations of three-dimensional macromolecules are studied based upon quantum mechanics, the Born-Oppenheimer approximation and related assumptions, and a variational inequality. Difficulties arising from vibrational and electronic energies are pointed out and bypassed consistently. Approximate quantum hamiltonians for internal rotations, in terms of dynamical variables studied recently, are obtained.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mats.1994.040030215
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