Topological analysis of the electron density and of the electron localization function of pyrene and its radicals

Chemical Physics

Volumn 308, Issue 1-2, 2005, Pages 181-192

  Hernández Trujillo, Jesús ^a   García Cruz, Isidoro ^a   Martínez Magadán, José Manuel ^a  

^a INSTITUTO MEXICANO DEL PETRÓLEO   (Mexico)

Author keywords

AIM; DFT; Electron density; ELF; Polycyclic aromatic radicals

Indexed keywords

AROMATIC COMPOUND; BENZENE; PYRENE; RADICAL;

ARTICLE; DEHYDROGENATION; DENSITY; ELECTRON TRANSPORT; ENERGY; GEOMETRY; MOLECULAR DYNAMICS; MOLECULAR SYSTEMATICS; QUANTUM THEORY;

EID: 8144229326     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.08.010     Document Type: Article

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