is published as part of a PCCP Themed Issue on : Time - Dependent Density - Functional Theory

This paper is published as part of a PCCP Themed Issue on: Time-Dependent Density-Functional Theory

An ab initio and TD-DFT study of solvent effect contributions to the electronic spectrum of Nile Red Patrick Owen Tuck, Robert Christopher Mawhinney and Manit Rappon, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b902528f Towards a gauge invariant method for molecular chiroptical properties in TDDFT Daniele Varsano, Leonardo A. Espinosa-Leal, Xavier Andrade, Miguel A. L. Marques, Rosa di Felice an...

is published as part of a PCCP Themed Issue on : Coarse - grained modeling of soft condensed matter

This paper is published as part of a PCCP Themed Issue on: Coarse-grained modeling of soft condensed matter

Absorption of DCM Dye in Ethanol: Experimental and Time Dependent Density Functional Study

Experimental and theoretical absorption spectra of [2-[2-[4-(dimethylamino) phenyl]ethenyl]-6-methyl-4H- pyran-4-ylidene]-propanedinitrile (DCM) have been studied. UV-Visible (UV-Vis.) absorption spectrum of DCM has been reported after its synthesis. Two relatively intense peaks appeared at 473 and 362 nm respectively. A theoretical investigation on the electronic structure of DCM is presented ...

This paper is published as part of a PCCP Themed Issue on : Stacking Interactions