Open-Shell Characters and Second Hyperpolarizabilities of One-Dimensional Graphene Nanoflakes Composed of Trigonal Graphene Units

The impact of topology on the open‐shell characters and the second hyperpolarizabilities (γ) has been addressed for one‐dimensional graphene nanoflakes (GNFs) composed of the smallest trigonal graphene (phenalenyl) units. The main results are: 1) These GNFs show not only diradical but also multiradi...

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Veröffentlicht in:	Chemphyschem 2011-06, Vol.12 (9), p.1697-1707
Hauptverfasser:	Yoneda, Kyohei, Nakano, Masayoshi, Fukui, Hitoshi, Minami, Takuya, Shigeta, Yasuteru, Kubo, Takashi, Botek, Edith, Champagne, Benoît
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry computational chemistry Exact sciences and technology General and physical chemistry General. Nomenclature, chemical documentation, computer chemistry graphene nonlinear optics radicals spin Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry
Online-Zugang:	Volltext
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