国家/地区 Japan（3）
关键词 DENSITY FUNCTIONAL THEORY DFT（3）
出版物 CHEMICAL PHYSICS（2）
出版时间 2008（2）
机构 TOHOKU UNIV（3）
作者 KAWAZOE Y（3）

Geometry and bonding in the ground and lowest triplet state of D-6h symmetric crenellated edged C6[3m(m-1)+1]H6(2m-1) (m=2,...,6) graphene hydrocarbon molecules

CHEMICAL PHYSICS

PHILPOTT MR, KAWAZOE Y

Geometry, bonding and magnetism in planar triangulene graphene molecules with D-3h symmetry: ZigZag Cm..2+4m+1H3m+3 (m=2,...,15)

CHEMICAL PHYSICS

PHILPOTT MR, CIMPOESU F, KAWAZOE Y

Bonding and Magnetism in High Symmetry Nano-Sized Graphene Molecules: Linear Acenes C4m+2H2m+4 (m=2,...25); Zigzag Hexangulenes C6m**2H6m (m=2,... 10); Crenelated Hexangulenes C6(3m**2-3m+1)H6(2m-1) (m=2,.6); Zigzag Triangulenes Cm**2+4m+1H6m (m=2,... 15)

MATERIALS TRANSACTIONS

PHILPOTT MR, CIMPOESU F, KAWAZOE Y