Donor-enhanced bridge effect on the electronic properties of triphenylamine based dyes: Density functional theory investigations

Journal of Molecular Modeling

Volumn 18, Issue 8, 2012, Pages 3609-3615

  Irfan, Ahmad ^a   Al Sehemi, Abdullah G ^a   Asiri, Abdullah M ^b  

^a KING KHALID UNIVERSITY   (Saudi Arabia)

^b KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

Author keywords

Density functional theory; Dye sensitized solar cell; HOMO; LUMO

Indexed keywords

AMINE; BENZENE; DYE; HYDROGEN;

ARTICLE; DENSITY FUNCTIONAL THEORY; DONOR; ELECTRON; ENERGY; GEOMETRY; ORBIT; OXIDATION REDUCTION REACTION; PRIORITY JOURNAL;

ANILINE COMPOUNDS; COLORING AGENTS; COMPUTER SIMULATION; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; THERMODYNAMICS;

EID: 84864671549     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1372-9     Document Type: Article

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