国家/地区 China（5） Mexico（5） Iran（2）
关键词 ADSORPTION（17）
出版物 JOURNAL OF MOLECULAR MODELING（17）
出版时间 2014（3） 2019（3） 2021（3） 2017（2）
机构 ISLAMIC AZAD.（2） UNIV NACL AU.（2）
作者 COCOLETZI GH（2）

Theoretical study of glycine amino acid adsorption on graphene oxide

JOURNAL OF MOLECULAR MODELING

ROSSIFERNANDEZ AC, VILLEGASESCOBAR N, GUZMANANGEL D, GUTIERREZOLIVA S, FERULLO RM, CASTELLANI NJ, TOROLABBE A

DFT calculation of AsH3 adsorption and dissociation on Ni- and Cu-doped graphene

JOURNAL OF MOLECULAR MODELING

LI Y, LI K, SUN X, SONG X, SUN HY, NING P

Studies of hydrogen sulfide and ammonia adsorption on P- and Si-doped graphene: density functional theory calculations

JOURNAL OF MOLECULAR MODELING

PADILLA VEC, DE LA CRUZ MTR, ALVARADO YEA, DIAZ RG, GARCIA CER, COCOLETZI GH

DFT study of CO adsorption on nitrogen/boron doped-graphene for sensor applications

JOURNAL OF MOLECULAR MODELING

VELAZQUEZLOPEZ LF, PACHECOORTIN SM, MEJIAOLVERA R, AGACINOVALDES E

First-principles vdW-DF study on the enhanced hydrogen storage capacity of Pt-adsorbed graphene

JOURNAL OF MOLECULAR MODELING

KHOSRAVI A, FEREIDOON A, AHANGARI MG, GANJI MD, EMAMI SN

Adsorption of HCN on reduced graphene oxides: a first-principles study

JOURNAL OF MOLECULAR MODELING

ZHAO ML, YANG F, XUE Y, XIAO D, GUO Y

First principles calculations of phenol adsorption on pristine and group III (B, Al, Ga) doped graphene layers

JOURNAL OF MOLECULAR MODELING

AVILA Y, COCOLETZI GH, ROMERO MT

Molecular dynamics simulations of hydrogen storage capacity of few-layer graphene

JOURNAL OF MOLECULAR MODELING

WU CD, FANG TH, LO JY, FENG YL

Interaction between an icosahedron Li-13 cluster and a graphene layer doped with a hydrogen atom

JOURNAL OF MOLECULAR MODELING

RANGEL E, VAZQUEZ G, MAGANA F, SANSORES E

First principle study of cysteine molecule on intrinsic and Au-doped graphene surface as a chemosensor device

JOURNAL OF MOLECULAR MODELING

ZHANG ZX, JIA HS, MA F, HAN PD, LIU XG, XU BS