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The electronic structures of infinite linear polymers

โœ Scribed by Keiji Morokuma

Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
254 KB
Volume
6
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The IIartree-Fock procedure for infinite linear polymers by use of the cyclic boundary condition is formulated and applied to polyethylene in the CND0/2 approximation. The most stable conformation is found to have the trans zig-zag conformation. in agreement with experiment.

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