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Indian Journal of Chemistry -Section A (IJC-A) >
IJC-A Vol.50A [2011] >
IJC-A Vol.50A(01) [January 2011] >
| Title: | Electro-active ternary copolymer design using genetic algorithm |
| Authors: | Kaur, Avneet
Bakhshi, A K |
| Keywords: | Theoretical chemistry
Polymers
Conducting polymers
Copolymers
Electronic properties
Genetic algorithm |
| Issue Date: | Jan-2011 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | Genetic algorithm has been applied for obtaining the optimal solution for a
copolymer with minimum band gap and maximum delocalization. The results for a
case study of ternary copolymers belonging to type II staggered class are
presented. A comparative study of the results obtained using two alternative
definitions of fitness function has also been made. It is seen that the
ionization potential of the homopolymers is the determining factor in the
percentage ratios of the optimum solution. The results obtained by genetic
algorithm constitute an informative set which the designer of conducting
polymers can use for a more informed decision. |
| Page(s): | 9-14 |
| CC License: |  CC Attribution- Noncommercial-No Derivative Works 2.5 India |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Source: | IJC-A Vol.50A(01) [January 2011]
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