Theoretical studies of the structural, electronic, and optical properties of phosphafluorenes

Journal of Physical Chemistry A

Volumn 114, Issue 10, 2010, Pages 3655-3667

  Yin, Jun ^a   Chen, Run Feng ^a   Zhang, Sheng Lan ^a   Ling, Qi Dan ^a   Huang, Wei ^a  

^a NANJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION AND EMISSION SPECTRA; CONFIGURATION INTERACTIONS; EXITED STATE; OPTOELECTRONIC FUNCTIONAL MATERIALS; OPTOELECTRONIC PROPERTIES; ORGANIC ELECTRONIC DEVICES; ORGANIC SOLAR CELL; PHOSPHORUS ATOM; POLARIZABLE CONTINUUM MODEL; QUANTUM CHEMICAL CALCULATIONS; RADIATIVE LIFETIME; REORGANIZATION ENERGIES; SINGLE EXCITATION; SINGLET EXCITONS; STRUCTURE PROPERTY RELATIONSHIPS; THEORETICAL STUDY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TRIPLET ENERGY;

ABSORPTION; ATOMIC SPECTROSCOPY; CHEMICAL MODIFICATION; CONTINUUM MECHANICS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; EMISSION SPECTROSCOPY; EXCITONS; FUNCTIONAL MATERIALS; HOLE MOBILITY; IONIZATION POTENTIAL; LEAKAGE (FLUID); OPTICAL PROPERTIES; OXYGEN; PHOSPHORUS; QUANTUM CHEMISTRY; SELENIUM; SOLAR CELLS; SOLAR ENERGY; STRUCTURAL PROPERTIES; SULFUR;

DENSITY FUNCTIONAL THEORY;

EID: 77949441194     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp911624v     Document Type: Article

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