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Journal of Molecular Modeling

Volumn 18, Issue 6, 2012, Pages 2861-2868

Chemical functionalization of graphene via aryne cycloaddition: A theoretical study

(6) Zhao, Jing Xiang a Wang, Hong Xia a Gao, Bo a Wang, Xiao Guang a Cai, Qing Hai a Wang, Xuan Zhang a

a HARBIN NORMAL UNIVERSITY (China)

Author keywords

DFT; Functionalization; Graphene

Indexed keywords

FUNCTIONAL GROUP; GRAPHENE; HYDROGEN;

ADSORPTION; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL FUNCTIONALIZATION; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; CYCLOADDITION; DENSITY FUNCTIONAL THEORY; ENERGY; PRIORITY JOURNAL; SUBSTITUTION REACTION;

ADSORPTION; BENZENE DERIVATIVES; COMPUTER SIMULATION; GRAPHITE; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NANOSTRUCTURES; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 84864667517 PISSN: 16102940 EISSN: 09485023 Source Type: Journal
DOI: 10.1007/s00894-011-1309-8 Document Type: Article

Times cited : (17)

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