Open-shell characters and second hyperpolarizabilities for hexagonal graphene nanoflakes including boron nitride domains

Chemical Physics Letters

Volumn 595-596, Issue , 2014, Pages 220-225

  Yoneda, Kyohei ^a   Matsui, Hiroshi ^a   Fukuda, Kotaro ^a   Takamuku, Shota ^a   Kishi, Ryohei ^a   Nakano, Masayoshi ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIDOTS; CLOSED SHELLS; DENSITY FUNCTIONAL THEORY METHODS; NANO-FLAKES; OPEN-SHELL; SECOND HYPERPOLARIZABILITIES; SPIN-UNRESTRICTED;

BORON NITRIDE;

GRAPHENE;

EID: 84896857529     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2014.02.010     Document Type: Article

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