The role of the natural transition orbital density in the S0 → S1 and S0 → S2 transitions of fulvene with next generation QTAIM

Liling Wang, Alireza Azizi, Tianlv Xu, Michael Filatov, Steven R. Kirk, Martin J. Paterson, Samantha Jenkins

Research output: Contribution to journalArticle

Original languageEnglish
Article number137556
JournalChemical Physics Letters
Early online date4 May 2020
Publication statusE-pub ahead of print - 4 May 2020

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