国家/地区 Japan（9）
关键词 DENSITY FUNCTIONAL .（3） GRAPHENE（3） POLYCYCLIC HYDROCAR.（2）
TRIANGULENE（2）
出版物 JOURNAL OF CHEMICAL.（5） CHEMICAL PHYSICS（2）
出版时间 2009（3） 2008（2） 2012（2）
机构 TOHOKU UNIV（9）
作者 PHILPOTT MR（9）

Magnetism and structure of graphene nanodots with interiors modified by boron, nitrogen, and charge

JOURNAL OF CHEMICAL PHYSICS

PHILPOTT MR, KAWAZOE Y

Graphene nanodots with intrinsically magnetic protrusions

JOURNAL OF CHEMICAL PHYSICS

PHILPOTT MR, KAWAZOE Y

Magnetism and bonding in graphene nanodots with H modified interior, edge, and apex

JOURNAL OF CHEMICAL PHYSICS

PHILPOTT MR, PRABHAT, KAWAZOE Y

Edge versus interior in the chemical bonding and magnetism of zigzag edged triangular graphene molecules

JOURNAL OF CHEMICAL PHYSICS

PHILPOTT MR, VUKOVIC S, KAWAZOE Y, LESTER WA

Bonding and magnetism in nanosized graphene molecules: Singlet states of zigzag edged hexangulenes C6m2H6m(m=2,3, ...,10)

JOURNAL OF CHEMICAL PHYSICS

PHILPOTT MR, KAWAZOE Y

Edge versus interior in the chemical bonding of graphene materials

PHYSICAL REVIEW B

PHILPOTT MR, KAWAZOE Y

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