国家/地区
关键词 DFT（3）
出版物 JOURNAL OF COMPUTATIONAL CHEMISTRY（3）
出版时间 2022（2）
机构
作者

Theoretical study of methane adsorption and CH bond activation over Fe-embedded graphene: Effect of external electric field

JOURNAL OF COMPUTATIONAL CHEMISTRY

KETRAT S, MAIHOM T, TREESUKUL P, BOEKFA B, LIMTRAKUL J

Assessment of density functional approximations for N-2 and CO2 physisorption on benzene and graphene

JOURNAL OF COMPUTATIONAL CHEMISTRY

RAYON VM, CABRIA I

Investigation of glucose electrooxidation mechanism over N-modified metal-doped graphene electrode by density functional theory approach

JOURNAL OF COMPUTATIONAL CHEMISTRY

DUZENLI D, ONAL I, TEZSEVIN I