화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals, Vol.374, 555-560, 2002
Semiempirical/CI of the excited states characterization of retinal molecules
We report results from a semiempirical investigation of the charge distribution and dipole moments of the ground state and first excited states of the all-trans and 13-cis retinoic aldehydes. We also calculate the theoretical absorption spectra of these molecules at the INDO/S-CI level with geometries fully optimized by the PM3/CI method.