𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The lower valence states of linear polyenes: Locations and identifications

✍ Scribed by Ruth Mc Diarmid

Book ID
104581750
Publisher
John Wiley and Sons
Year
1986
Tongue
English
Weight
410 KB
Volume
29
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

RMS dipole moments of the valence excite
RMS dipole moments of the valence excited states of linear polyenes
✍ Uri Dinur πŸ“‚ Article πŸ“… 1982 πŸ› Elsevier Science 🌐 English βš– 573 KB

Asymmstrlcal vlbnuonc mducc smnll osclllnlmp dipole moments m the ground states of Incar all-~rans polyencs Upon vcrt~cal e\crtdtion into one ol the two low-lying valence cvcited stales the mduccd m-plane dipole momcnls arc mcrcsed 3 trmcs and mcwc The tms dipole moments mcrc~sc wwth rhe cham length

The first excited singlet valence states
The first excited singlet valence states of trans-polyenes and Ξ±,Ο…-diphenyl-trans-polyenes
✍ J. Leclercq; J.M. Leclercq πŸ“‚ Article πŸ“… 1978 πŸ› Elsevier Science 🌐 English βš– 554 KB

Extended CNDOjS icvestigations of the first two excited singlet valence states of all-tram-1,3\_butaciiene (B), -1,3Jhexatriene (H), -1,3,5.7-octatetraene (0) and the a,w-diphenyl derivatives (DPB. DPH and DPO, respectively) are reported. For B, ii and G ik vertical 2 'Ag + 1 'A, transition energy i

Application of the dressed time-dependen
Application of the dressed time-dependent density functional theory for the excited states of linear polyenes
✍ Grzegorz Mazur; RadosΕ‚aw WΕ‚odarczyk πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 94 KB

## Abstract Dressed Time‐Dependent Density Functional Theory (Maitra et al., J Chem Phys 2004, 120, 5932) is applied to selected linear polyenes. Limits of validity of the approximation are briefly discussed. The implementation strategy is described. Results for the 2^1^__B__~__u__~ and 2^1^__A__~_

Theoretical study of the Ο€β†’Ο€* excited st
Theoretical study of the Ο€β†’Ο€* excited states of linear polyenes: The energy gap between 11Bu+ and 21Agβˆ’ states and their character
✍ Kenichi Nakayama; Haruyuki Nakano; Kimihiko Hirao πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 267 KB πŸ‘ 2 views

Multireference perturbation theory with complete active space self-Ε½ . consistent field CASSCF reference functions is applied to the study of the valence Βͺ \* excited states of 1,3-butadiene, 1,3,5-hexatriene, 1,3,5,7-octatetraene, and 1,3,5,7,9-decapentaene. Our focus was put on determining the nat