国家/地区 Brazil（3） China（2） Iran（2） Mexico（2）
关键词 GRAPHENE（10）
出版物 JOURNAL OF MOLECULAR MODELING（10）
出版时间 2019（10）
机构 KUNMING UNIV.（2） UNIV BRASILI.（2） YAZD PAYAME .（2）
作者 KAZEMPOUR A（2） NING P（2） RIBEIRO LA（2） SILVA GME（2）
SUN X（2）

Theoretical study on simultaneous removal of SO2, NO, and Hg-0 over graphene: competitive adsorption and adsorption type change

JOURNAL OF MOLECULAR MODELING

ZHAO XM, LI K, NING P, WANG C, SUN X, MA YX, SONG X, JIA LJ, HAO XG

Conformational switching of CO on graphene: the role of electric fields

JOURNAL OF MOLECULAR MODELING

ZAREI F, KAZEMPOUR A, BEHJATMANESHARDAKANI R

Density functional theory study of pi-aromatic interaction of benzene, phenol, catechol, dopamine isolated dimers and adsorbed on graphene surface

JOURNAL OF MOLECULAR MODELING

DE MORAES EE, TONEL MZ, FAGAN SB, BARBOSA MC

Stability conditions of armchair graphene nanoribbon bipolarons

JOURNAL OF MOLECULAR MODELING

ABREU AVP, RIBEIRO LA, SILVA GG, PEREIRA ML, ENDERS BG, FONSECA ALA, SILVA GME

Defective graphene domains in boron nitride sheets

JOURNAL OF MOLECULAR MODELING

DOS SANTOS RM, SANTOS RB, NETO BGE, SILVA GME, RIBEIRO LA

Boron decorated graphene nanosheet as an ultrasensitive sensor: the role of coverage

JOURNAL OF MOLECULAR MODELING

FANI SL, TAVANGAR Z, KAZEMPOUR A

Density functional theory analysis of selective adsorption of AsH3 on transition metal-doped graphene

JOURNAL OF MOLECULAR MODELING

LI Y, SUN X, ZHOU LL, NING P, TANG LH

Functionalized graphene pieces to trap the insecticide imidacloprid: a theoretical analysis

JOURNAL OF MOLECULAR MODELING

PALOMINOASENCIO L, RAMIREZTORRES A, AVELAR J, GARZA J, GARCIAHERNANDEZ E

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

Spin polarization in graphene nanoribbons functionalized with nitroxide

JOURNAL OF MOLECULAR MODELING

MOROZOV V, TRETYAKOV E