title: Molecular theory of graphene oxide.
abstract: Applied to graphene oxide, the molecular theory of graphene considers its oxide as a final product in the succession of polyderivatives related to a series of oxidation reactions involving different oxidants. The graphene oxide structure is created in the course of a stepwise computational synthesis of polyoxides of the (5,5) nanographene molecule governed by an algorithm that takes into account the molecule's natural radicalization due to the correlation of its odd electrons, the extremely strong influence of the structure on properties, and a sharp response of the molecule behavior on small actions of external factors. Taking these together, the theory has allowed for a clear, transparent and understandable explanation of the hot points of graphene oxide chemistry and suggesting reliable models of both chemically produced and chemically reduced graphene oxides.
authors.affiliation: Peoples' Friendship University of Russia, Moscow, 117198 Russia. sheka@icp.ac.ru
authors.forename: Elena F
authors.initials: EF
authors.lastname: Sheka
authors.forename: Nadezhda A
authors.initials: NA
authors.lastname: Popova
mesh_terms: D000465:Algorithms; D006108:Graphite / Q000737:chemistry*; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation; D010087:Oxides / Q000737:chemistry*
chemical_list: D010087:Oxides; D006108:Graphite