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ERIC Number: EJ375440
Record Type: CIJE
Publication Date: 1988
Pages: N/A
Abstractor: N/A
Reference Count: 0
ISBN: N/A
ISSN: N/A
The Band Structure of Polymers: Its Calculation and Interpretation. Part 2. Calculation.
Duke, B. J.; O'Leary, Brian
Journal of Chemical Education, v65 n5 p379-83 May 1988
Details ab initio crystal orbital calculations using all-trans-polyethylene as a model. Describes calculations based on various forms of translational symmetry. Compares these calculations with ab initio molecular orbital calculations discussed in a preceding article. Discusses three major approximations made in the crystal case. (CW)
Publication Type: Journal Articles; Reports - Descriptive; Reports - Research
Education Level: N/A
Audience: N/A
Language: English
Sponsor: N/A
Authoring Institution: N/A