Relating molecular descriptors to frontier orbital energy levels, singlet and triplet excited states of fused tricyclics using machine learning
Fused tricyclic organic compounds are an important class of organic electronic materials. In designing molecules for organic electronics, knowing what chemical structure that be used to tune the molecular property is one of the keys that can help to improve the material performance. In this research...
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| Main Authors: | , , , |
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| Format: | Article |
| Published: |
Elsevier Science Inc
2021
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| Subjects: | |
| Online Access: | http://eprints.um.edu.my/26622/ |
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