国家/地区 China（2） Iran（2） Thailand（2）
关键词 DFT（2） MD SIMULATION（2） MOLECULAR DYNAMIC（2）
出版物 JOURNAL OF MOLECULAR GRAPHICS MODELLING（8）
出版时间 2022（8）
机构
作者 JAPRUNG D（2） PONGPRAYOON .（2）

Molecular dynamics simulation of the adsorption properties of graphene oxide/graphene composite for alkali metal ions

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ZENG JP, ZHANG Y, CHEN YH, HAN ZJ, CHEN XM, PENG Y, CHEN L, CHEN S

Enhancement of absorption capacity, optical and non-linear optical properties of graphene oxide nanosheet

JOURNAL OF MOLECULAR GRAPHICS MODELLING

FOADIN CST, NYA FT, MALLOUM A, CONRADIE J

The aggregation of multiple miR-29a cancer biomarkers induced by graphene quantum dots: Molecular dynamics simulations

JOURNAL OF MOLECULAR GRAPHICS MODELLING

NATMAI S, KUNTIP N, JAPRUNG D, PONGPRAYOON P

First principles study on electronic properties and oxygen evolution mechanism of 2D bimetallic N-doped graphene

JOURNAL OF MOLECULAR GRAPHICS MODELLING

HOU GY, SONG YB, MA XX, CHU FH, WU ML, WANG DL, WU J, QI YF, WU CC, XIONG MC

Oxidation of methane and ethylene over Al incorporated N-doped graphene: A comparative mechanistic DFT study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

MOUSAVIAN P, ESRAFILI MD, SARDROODI JJ

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

Effect of adsorption, hardener, and temperature on mechanical properties of epoxy nanocomposites with functionalized graphene: A molecular dynamics study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

SALEHI A, RASHAHMADI S

The binding of apo and glucose-bound human serum albumins to a free graphene sheet in aqueous environment: Simulation studies

JOURNAL OF MOLECULAR GRAPHICS MODELLING

SITTIWANICHAI S, JAPRUNG D, PONGPRAYOON P