国家/地区 Chile（6）
关键词 DFT CALCULATION（6）
出版物 APPLIED SURFACE SCI.（2） JOURNAL OF MOLECULA.（2）
出版时间 2019（3） 2018（2）
机构 UNIV TECNOL METROPOLITANA（6）
作者 CORTESARRIAG.（6） ORTEGA DE（2） VILLEGASESCO.（2）

Performance of doped graphene nanoadsorbents with first-row transition metals (Sc-Zn) for the adsorption of water-soluble trivalent arsenicals: A DFT study

JOURNAL OF MOLECULAR LIQUIDS

CORTESARRIAGADA D, MELLA A

Interaction of trivalent arsenic on different topologies of Fe-doped graphene nanosheets at water environments: A computational study

JOURNAL OF MOLECULAR LIQUIDS

GAZZARI S, CORTESARRIAGADA D

Computational quest of adsorbents based on doped graphene nanosheets for phosgene uptake, and analysis of the co-adsorption phenomena

SYNTHETIC METALS

MEA A, CORTESARRIAGADA D

Effects on the aromatic character of DNA/RNA nucleobases due to its adsorption onto graphene

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

CORTESARRIAGADA D, ORTEGA DE

Fe-doped graphene nanosheet as an adsorption platform of harmful gas molecules (CO, CO2, SO2 and H2S), and the co-adsorption in O-2 environments

APPLIED SURFACE SCIENCE

CORTESARRIAGADA D, VILLEGASESCOBAR N, ORTEGA DE

A DFT analysis of the adsorption of nitrogen oxides on Fe-doped graphene, and the electric field induced desorption

APPLIED SURFACE SCIENCE

CORTESARRIAGADA D, VILLEGASESCOBAR N