国家/地区 Japan（9） Usa（2）
关键词 DENSITY FUNCTIONAL .（3） GRAPHENE（3） POLYCYCLIC HYDROCAR.（2）
TRIANGULENE（2）
出版物 JOURNAL OF CHEMICAL.（6） CHEMICAL PHYSICS（2）
出版时间 2009（3） 2010（3） 2008（2） 2011（2） 2012（2）
机构 TOHOKU UNIV（9） UNIV CALIF B.（2）
作者 PHILPOTT MR（12）

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

Triplet states of zigzag edged hexagonal graphene molecules C6m**2H6m (m=1, 2, 3, ..., 10) and carbon based magnetism

JOURNAL OF CHEMICAL PHYSICS

PHILPOTT MR, 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

Ab initio methods in graphene modeling

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

WANG JH, VUKOVIC S, PHILPOTT MR, ZUBAREV DY, AUSTIN B, LESTER WA, CUI T, KAWAZOE Y

Onset of diradical character in small nanosized graphene patches

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

WANG JH, ZUBAREV DY, PHILPOTT MR, VUKOVIC S, LESTER WA, CUI TA, KAWAZOE Y

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