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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 117, 2019 - Issue 9-12: Dieter Cremer Memorial Issue
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Dieter Cremer Memorial

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

Max Pinheiro JrDepartamento de Química, Instituto Tecnológico de Aeronáutica, São Paulo, BrazilView further author information
,
Daniely V. V. CardosoDepartamento de Química, Instituto Tecnológico de Aeronáutica, São Paulo, BrazilView further author information
,
Adélia J. A. AquinoDepartment of Chemistry and Biochemistry, Texas Tech University, Lubbock, TX, USA;School of Pharmaceutical Sciences and Technology, Tianjin University, Tianjin, People’s Republic of China;Institute for Theoretical Chemistry, University of ViennaVienna, AustriaView further author information
,
Francisco B. C. MachadoDepartamento de Química, Instituto Tecnológico de Aeronáutica, São Paulo, BrazilCorrespondence[email protected]
View further author information
&
Hans LischkaDepartment of Chemistry and Biochemistry, Texas Tech University, Lubbock, TX, USA;School of Pharmaceutical Sciences and Technology, Tianjin University, Tianjin, People’s Republic of China;Institute for Theoretical Chemistry, University of ViennaVienna, AustriaCorrespondence[email protected]
View further author information
Pages 1519-1531 | Received 31 Aug 2018, Accepted 03 Jan 2019, Published online: 18 Jan 2019

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