Theoretical analysis of spectra of short polyenes Page 1 Chem. Rev. 1991, 91, 867-891 867
Theoretical Analysis of Spectra of Short Polyenes GIORGIO ORLANDI,#,t FRANCESCO …

The excited state (2'Ag) reaction paths involved in the photochemical transformations of
butadiene havebeen studied via ab initio MC-SCF methods. It is demonstrated that the …

The growing need for production methods with a reduced environmental impact drives the
search for new synthetic approaches in chemistry. Here we report the state of the art of a …

We describe and extend the formalism of state-specific analytic density matrix
renormalization group (DMRG) energy gradients, first used by Liu et al.[J. Chem. Theor …

The pressure-induced chemical reaction of liquid butadiene was studied by Fourier
transform infrared spectroscopy in a diamond anvil cell. Dimerization was found to occur …

High resolution fluorescence and fluorescence excitation spectra have been obtained for the
all-trans polyene 2, 4, 6, 8, 10, 12, 14, 16-octadecaoctaene in an n-hexadecane matrix at 4.2 …

The basic features of diamond anvil cells and of the available techniques to study chemical
reactions at ultrahigh pressures are reviewed. A number of study cases including reactions …

Carotenoids (Car) in photosynthetic systems have dual functions of photoprotection and light-
harvesting, 1 2" 3 45678910and natural selection of carotenoid configurations, in relation to …

We propose a computational strategy that enables ionic and covalent ππ* excited states to
be described in a balanced way. This strategy depends upon (1) the restricted active space …

One‐and two‐photon fluorescence excitation and emission spectra of the S 1↔ S 0
transition of trans, trans‐1, 3, 5, 7‐octatetraene have been measured for the first time in free …