国家/地区 Brazil（2）
关键词 POLYCYCLIC AROMATIC HYDROCARBON（2）
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On the radicalar properties of graphene fragments: double-hybrid DFT and perturbation theory approaches

THEORETICAL CHEMISTRY ACCOUNTS

SALVADOR MA, ANTONIO FCT, DA SILVA GD, BARTOLONI FH, ORESTES E, COUTINHONETO MD, HOMEMDEMELLO P

The characterization of electronic defect states of single and double carbon vacancies in graphene sheets using molecular density functional theory

MOLECULAR PHYSICS

PINHEIRO M, CARDOSO DVV, AQUINO AJA, MACHADO FBC, LISCHKA H