Polycarbonitrile: an evaluation using electronic structure methods to analyze their respective electronic and structural stability
This work presents an investigation of the structural stability of polycarbonitrile with different monomeric units to confirm the pertinence of not using a cis-trans geometry, but an intermediate structure. Thermochemical and non-linear optic properties are calculated and compared to different confo...
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| Main Authors: | , , |
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| Format: | Online |
| Language: | Portuguese |
| Published: |
Universidade Estadual de Campinas
2019
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| Subjects: | |
| Online Access: | https://econtents.sbu.unicamp.br/eventos/index.php/pibic/article/view/2997 |
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