Evaluation of various density functionals for predicting the electrophosphorescent host HOMO, LUMO and triplet energies
Design of phosphorescent hosts for deep blue emitter with suitable electronic states for high efficiency electrophosphorescent light emitting diodes is often carried out by using wet-lab techniques and trial and error. Although, quantum computation has been carried out to study the influence of cert...
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| Main Authors: | , , |
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| Format: | Article |
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Elsevier
2014
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| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S0379677914001891 http://www.sciencedirect.com/science/article/pii/S0379677914001891 |
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