国家/地区 India（5）
关键词 DFT（3） ADSORPTION（2） GRAPHENE OXIDE（2）
出版物 JOURNAL OF MOLECULAR GRAPHICS MODELLING（5）
出版时间
机构
作者

A DFT-D2 study on the adsorption of phosgene derivatives and chloromethyl chloroformate on pristine and Fe-4-decorated graphene

JOURNAL OF MOLECULAR GRAPHICS MODELLING

JOGENDER, BADHANI B, MANDEEP, KAKKAR R

Dispersion corrected density functional study of CO oxidation on pristine/functionalized/doped graphene surfaces in aqueous phase

JOURNAL OF MOLECULAR GRAPHICS MODELLING

RIYAZ M, YADAV S, GOEL N

Effect of graphene oxide on the conformational transitions of amyloid beta peptide: A molecular dynamics simulation study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

BAWEJA L, BALAMURUGAN K, SUBRAMANIAN V, DHAWAN A

New insights into NO adsorption on alkali metal and transition metal doped graphene nanoribbon surface: A DFT approach

JOURNAL OF MOLECULAR GRAPHICS MODELLING

DEJI R, VERMA A, CHOUDHARY BCK, SHARMA R

Investigation of unified impact of Ti adatom and N doping on hydrogen gas adsorption capabilities of defected graphene sheets

JOURNAL OF MOLECULAR GRAPHICS MODELLING

LUHADIYA N, CHOYAL V, KUNDALWAL SI, SAHU SK