Structural and electronic properties of linear and angular polycyclic aromatic hydrocarbons

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 378, Issue 20, 2014, Pages 1379-1382

  Fan, Xue Lan ^a   Wang, Xin Quan ^a   Wang, Jian Tao ^a   Li, Han Dong ^b  

^a INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^b CHINESE RESEARCH ACADEMY OF ENVIRONMENTAL SCIENCES   (China)

Author keywords

A. PAHs; D. Electronic properties; D. Magnetism; E. Ab initio calculations

Indexed keywords

CALCULATIONS; ELECTRONIC PROPERTIES; ISOMERS; MINERAL OILS;

AB INITIO CALCULATIONS; E. AB-INITIO CALCULATIONS; FRONTIER ORBITALS; HOMO-LUMO GAPS; KINETIC STABILITY; LINEAR ISOMERS; POLYCYCLIC AROMATIC HYDROCARBONS (PAHS); STRUCTURAL AND ELECTRONIC PROPERTIES;

POLYCYCLIC AROMATIC HYDROCARBONS;

EID: 84898787368     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2014.03.035     Document Type: Article

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