Conjugated polymers: Evaluating DFT methods for more accurate orbital energy modeling

Macromolecules

Volumn 46, Issue 10, 2013, Pages 3879-3886

  McCormick, Theresa M ^a   Bridges, Colin R ^a   Carrera, Elisa I ^a   Dicarmine, Paul M ^a   Gibson, Gregory L ^a   Hollinger, Jon ^a   Kozycz, Lisa M ^a   Seferos, Dwight S ^a  

^a UNIVERSITY OF TORONTO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; DONOR-ACCEPTORS; FRONTIER ORBITAL ENERGIES; HOMO ENERGIES; MOLECULAR ORBITAL ENERGY; ORBITAL ENERGY; POLYMER MODELS; TRIPLET STATE;

CAMS; DENSITY FUNCTIONAL THEORY; EXPERIMENTS; MOLECULAR ORBITALS;

CONJUGATED POLYMERS;

EID: 84878319866     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma4005023     Document Type: Article

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