Time Dependent- Density Functional Theory calculations on frequency-dependent photophysical properties of 2, 3-diphenylcyclopropenone

Time Dependent- Density Functional Theory calculations on frequency-dependent photophysical properties of 2, 3-diphenylcyclopropenone

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Time Dependent Density Functional Theory (TD-DFT/B3LYP/6-31G*) calculations have been performed on the optimized structure of 2, 3-diphenylcyclopropenone (DPCP) in the UV region of the spectra; giving energies, oscillator strength, dipole moment, µ and polarizability, α in solvents of different pol...

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Bibliographic Details
Main Authors:	N. O. Obi-Egbedi, M. D. Adeoye
Format:	Article
Language:	English
Published:	Fountain University Osogbo 2017-06-01
Series:	Fountain Journal of Natural and Applied Sciences (FUJNAS)
Online Access:	https://www.fountainjournals.com/index.php/FUJNAS/article/view/108

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