国家/地区 Usa（5） China（3）
关键词 DENSITY FUNCTIONAL THEORY（13）
出版物 JOURNAL OF CHEMICAL PHYSICS（13）
出版时间 2009（8） 2011（2） 2012（2）
机构 TEXAS A M UN.（2）
作者 KAWAZOE Y（2） MIZUSEKI H（2） RANGEL NL（2） SEMINARIO JM（2）

Chiral graphene nanoribbons: Objective molecular dynamics simulations and phase-transition modeling

JOURNAL OF CHEMICAL PHYSICS

AKATYEVA E, DUMITRICA T

A van der Waals density functional study of chloroform and other trihalomethanes on graphene

JOURNAL OF CHEMICAL PHYSICS

AKESSON J, SUNDBORG O, WAHLSTROM O, SCHRODER E

A few simple rules governing hydrogenation of graphene dots

JOURNAL OF CHEMICAL PHYSICS

BONFANTI M, CASOLO S, TANTARDINI GF, PONTI A, MARTINAZZO R

Electronic properties of metal-arene functionalized graphene

JOURNAL OF CHEMICAL PHYSICS

PLACHINDA P, EVANS DR, SOLANKI R

Vibronics and plasmonics based graphene sensors

JOURNAL OF CHEMICAL PHYSICS

RANGEL NL, SEMINARIO JM

Oxidation states of graphene: Insights from computational spectroscopy

JOURNAL OF CHEMICAL PHYSICS

ZHANG WH, CARRAVETTA V, LI ZY, LUO Y, YANG JL

Polarization-induced switching effect in graphene nanoribbon edge-defect junction

JOURNAL OF CHEMICAL PHYSICS

YIN G, LIANG YY, JIANG F, CHEN H, WANG P, NOTE R, MIZUSEKI H, KAWAZOE Y

Stacking of polycyclic aromatic hydrocarbons as prototype for graphene multilayers, studied using density functional theory augmented with a dispersion term

JOURNAL OF CHEMICAL PHYSICS

FENG C, LIN CS, FAN W, ZHANG RQ, VAN HOVE MA

Epoxide reduction with hydrazine on graphene: A first principles study

JOURNAL OF CHEMICAL PHYSICS

KIM MC, HWANG GS, RUOFF RS

Mechanism of carbon nanotubes unzipping into graphene ribbons

JOURNAL OF CHEMICAL PHYSICS

RANGEL NL, SOTELO JC, SEMINARIO JM