Computational Modeling of Pi-Conjugated Polyradicals
- 1 November 1989
- journal article
- research article
- Published by Taylor & Francis in Molecular Crystals and Liquid Crystals Incorporating Nonlinear Optics
- Vol. 176 (1), 125-137
- https://doi.org/10.1080/00268948908037474
Abstract
Spin-spin coupling in a number of aryloxy-based polyradicals is computationally Investigated using the AMI semiempirical molecular orbital method with configuration interaction.Keywords
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