An ab initio simulation of the UV/Visible spectra of substituted chalcones

The geometry and absorption of diketo-pyrrolo-pyrroles substituted with various aryls

(2009) Stanislav Luňák Jr. et al.   DYES AND PIGMENTS

The conformational, electronic and spectral properties of chalcones: A density functional theory study

(2009) Yunsheng Xue et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Absorption and emission properties of phenylene ethynylene oligomers: effect of substitution and π-conjugation length

(2009) N. Santhanamoorthi et al.   MOLECULAR PHYSICS

Accurate Simulation of Optical Properties in Dyes

(2008) Denis Jacquemin et al.   ACCOUNTS OF CHEMICAL RESEARCH

Nonlinear optical studies on 1,3-disubstituent chalcones doped polymer films

(2008) P. Poornesh et al.   OPTICAL MATERIALS

On the TD-DFT UV/vis spectra accuracy: the azoalkanes

(2008) Denis Jacquemin et al.   THEORETICAL CHEMISTRY ACCOUNTS

Novel organic material with potential NLO application - electronic and spectroscopic properties

(2008) B.B. Koleva et al.   Open Chemistry

TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes:  Conventional versus Long-Range Hybrids

(2007) Denis Jacquemin et al.   Journal of Chemical Theory and Computation