Article ID Journal Published Year Pages File Type
1235834 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2012 7 Pages PDF
Abstract
► DFT as well as FTIR were utilized to analyze DCPF. ► Vibrational assignments for DCPF isomers were aided at B3LYP/6-311G(d,p). ► C isomer is a promising structure for solar cells due to its high dipole moment (7.7 Debye) and lower HOMO/LUMO band gap (2.7 eV).
Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
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