Violation of Hund’s rule in molecules: Predicting the excited-state energy inversion by TD-DFT with double-hybrid methods (Englisch)
- Neue Suche nach: Sancho-García, J. C.
- Neue Suche nach: Brémond, E.
- Neue Suche nach: Ricci, G.
- Neue Suche nach: Pérez-Jiménez, A. J.
- Neue Suche nach: Olivier, Y.
- Neue Suche nach: Adamo, C.
- Neue Suche nach: Sancho-García, J. C.
- Neue Suche nach: Brémond, E.
- Neue Suche nach: Ricci, G.
- Neue Suche nach: Pérez-Jiménez, A. J.
- Neue Suche nach: Olivier, Y.
- Neue Suche nach: Adamo, C.
In:
The Journal of Chemical Physics
;
156
, 3
;
15
;
2022
- Aufsatz (Zeitschrift) / Elektronische Ressource
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Titel:Violation of Hund’s rule in molecules: Predicting the excited-state energy inversion by TD-DFT with double-hybrid methods
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Weitere Titelangaben:Sancho-García et al.
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Beteiligte:Sancho-García, J. C. ( Autor:in ) / Brémond, E. ( Autor:in ) / Ricci, G. ( Autor:in ) / Pérez-Jiménez, A. J. ( Autor:in ) / Olivier, Y. ( Autor:in ) / Adamo, C. ( Autor:in )
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Erschienen in:The Journal of Chemical Physics ; 156, 3 ; 15
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Verlag:
- Neue Suche nach: AIP Publishing LLC
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Erscheinungsdatum:21.01.2022
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Format / Umfang:15 pages
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ISSN:
-
DOI:
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Medientyp:Aufsatz (Zeitschrift)
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Format:Elektronische Ressource
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Sprache:Englisch
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Schlagwörter:
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Datenquelle:
Inhaltsverzeichnis – Band 156, Ausgabe 3
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