How diradicaloid is a stable diradical?

ChemPhysChem

Volumn 4, Issue 5, 2003, Pages 522-525

  Jung, Yousung ^a   Head Gordon, Martin ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Ab initio calculations; Density functional calculations; Diradicals; Occupation numbers; Orbital interactions

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; SYNTHESIS (CHEMICAL);

A-STABLE; AB INITIO CALCULATIONS; CLOSED SHELLS; DIRADICALS; LIGAND SUBSTITUTION; OCCUPATION NUMBERS; ORBITAL INTERACTION; ORBITALS;

ORBITAL CALCULATIONS;

RADICAL;

AB INITIO CALCULATION; ARTICLE; CALCULATION; DENSITY; ELECTRON TRANSPORT; MOLECULAR INTERACTION; MOLECULAR STABILITY; SYNTHESIS;

EID: 0037568313     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200200668     Document Type: Article

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