Charge-transfer excited states in phosphorescent organo-transition metal compounds: a difficult case for time dependent density functional theory?
Article
Niehaus, Thomas A.
, Hofbeck, Thomas and Yersin, Hartmut
(2015)
Charge-transfer excited states in phosphorescent organo-transition metal compounds: a difficult case for time dependent density functional theory?
RSC Advances 5 (78), pp. 63318-63329.
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| Item type | Article | ||||
| Journal or Publication Title | RSC Advances | ||||
| Publisher | ROYAL SOC CHEMISTRY | ||||
| Place of Publication | CAMBRIDGE | ||||
| Volume | 5 | ||||
| Number of Issue or Book Chapter | 78 | ||||
| Page Range | pp. 63318-63329 | ||||
| Date | 2015 | ||||
| Date of publication | 19 Dec 2024 07:50 | ||||
| Institutions | Physics > Institute of Theroretical Physics Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > Prof. Dr. Hartmut Yersin | ||||
| Identification Number |
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| Keywords | GENERALIZED-GRADIENT-APPROXIMATION; VIBRATIONAL SATELLITE STRUCTURES; OLED EMITTER IR(BTP)(2)(ACAC); ELECTRONIC STATES; TRIPLET-STATE; ORGANOMETALLIC COMPLEXES; PHOTOPHYSICAL PROPERTIES; EFFICIENCY; EXCHANGE; EXCITATIONS; | ||||
| Dewey Decimal Classification | 500 Science > 530 Physics 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| Item ID | 60778 |
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