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Title: Computational modeling of novel donor-acceptor ternary copolymers: Some interesting results
Authors: Thakral, Priyanka
Bakhshi, A K
Keywords: Computational chemistry;Conducting polymers;Copolymers;Electronic properties;Donor-acceptor polymerization;Particle swarm optimization
Issue Date: Sep-2015
Publisher: NISCAIR-CSIR, India
Abstract: In this study, donor-acceptor (D-A) polymerization has been combined with copolymerization for blueprinting low band gap ternary D-A copolymers based on first two members of Groups XIV and XVI of periodic table using a computational modeling approach. The first members of Groups XIV and XVI alter and modulate the electronic structures and properties of copolymers more in comparison with the respective second members. However, the presence of second members of the respective groups provides electronic flexibility to the overall copolymer backbone.
Page(s): 1069-1075
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections:IJC-A Vol.54A(09) [September 2015]

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