国家/地区 Mexico（6）
关键词 GRAPHENE（4） ADSORPTION（3） DENSITY FUNCTIONAL .（3）
PHENOL（2）
出版物 JOURNAL OF MOLECULA.（3）
出版时间 2014（2）
机构 BENEMERITA U.（3）
作者 COCOLETZI GH（7）

Fluorinating the graphene-like BeO monolayer: A spin-polarized first principles study of the electronic, magnetic and optical properties

PHYSICA SCRIPTA

ON VV, HOAT DM, NGUYEN DK, PONCEPEREZ R, VU TV, RIVASSILVA JF, COCOLETZI GH

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

Studies of graphene-chitosan interactions and analysis of the bioadsorption of glucose and cholesterol

APPLIED NANOSCIENCE

ANOTA EC, SOTO AT, COCOLETZI GH

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

A theoretical analysis of the role of defects in the adsorption of hydrogen sulfide on graphene

AIP ADVANCES

AGUILA JEC, COCOLETZI HH, COCOLETZI GH

First principles studies of the graphene-phenol interactions

JOURNAL OF MOLECULAR MODELING

HERNANDEZ JMG, ANOTA EC, DE LA CRUZ MTR, MELCHOR MG, COCOLETZI GH

Efficient NO2 removal induced by transition-metal doped and co-doped graphene: An ab-initio study

COMPUTATIONAL THEORETICAL CHEMISTRY

CAMARILLOSALAZAR E, GARCIADIAZ R, AVILAALVARADO Y, GUERREROSANCHEZ J, COCOLETZI GH, DE LA CRUZ MTR