国家/地区
关键词 DFT（6）
出版物 THEORETICAL CHEMISTRY ACCOUNTS（6）
出版时间 2020（2）
机构
作者

On the hydrogen storage performance of Cu-doped and Cu-decorated graphene quantum dots: a computational study

THEORETICAL CHEMISTRY ACCOUNTS

MALCEK M, BUCINSKY L

Theoretical study of the adsorption of diphenylalanine on pristine graphene

THEORETICAL CHEMISTRY ACCOUNTS

SILVAALVES DA, CAMARA MVS, CHAVESNETO AMJ, GESTER R, ANDRADE T

DFT study of small gas molecules adsorbed on undoped and N-, Si-, B-, and Al-doped graphene quantum dots

THEORETICAL CHEMISTRY ACCOUNTS

MONTEJOALVARO F, OLIVA J, HERRERATREJO M, HDZGARCIA HM, MTZENRIQUEZ AI

Critical assessment of charge transfer estimates in non-covalent graphene doping

THEORETICAL CHEMISTRY ACCOUNTS

GERBER IC, POTEAU R

Theoretical study of triiodide reduction reaction on nitrogen-doped graphene for dye-sensitized solar cells

THEORETICAL CHEMISTRY ACCOUNTS

ZHANG Y, HAO JY, LI JW, HAO C

Flavonols on graphene: a DFT insight

THEORETICAL CHEMISTRY ACCOUNTS

GARCIA G, ATILHAN M, APARICIO S