Structural modelling of optical and electrochemical properties of 4-aminodiphenylamines ??? optoelectronic studies on a polyaniline repeating unit, Photochem. Photobiol. Sci., vol.42, issue.195, pp.939-948, 2004. ,
DOI : 10.1039/B406519K
A new hybrid exchange???correlation functional using the Coulomb-attenuating method (CAM-B3LYP), Chemical Physics Letters, vol.393, issue.1-3, pp.51-57, 2004. ,
DOI : 10.1016/j.cplett.2004.06.011
effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals, The Journal of Chemical Physics, vol.82, issue.1, pp.299-310, 1985. ,
DOI : 10.1063/1.448975
Quantum Mechanical Continuum Solvation Models, Chemical Reviews, vol.105, issue.8, pp.2999-3094, 2005. ,
DOI : 10.1021/cr9904009
Accurate and simple analytic representation of the electron-gas correlation energy, Physical Review B, vol.45, issue.23, p.13244, 1992. ,
DOI : 10.1103/PhysRevB.45.13244
Systematic optimization of long-range corrected hybrid density functionals, The Journal of Chemical Physics, vol.128, issue.8, p.84106, 2008. ,
DOI : 10.1063/1.2834918
77, 3865; b), Phys. Rev. Lett. J. Chem. Phys. J. Mater. Chem. Chem. Commun, vol.10510, issue.48, pp.9982-9985, 1996. ,
Double actinometry for rigorous evaluation of quantum yields of clean photoreversible photochemical reactions, Photochemical & Photobiological Sciences, vol.1, issue.2, pp.105-110, 2002. ,
DOI : 10.1039/b107974n
The absorption spectra of azobenzene and some derivatives, Transactions of the Faraday Society, vol.49, pp.735-744, 1953. ,
DOI : 10.1039/tf9534900735