Studies of the Ground and Excited-State Surfaces of the Retinal Chromophore using CAM-B3LYP

The isomerization of the 11-cis isomer (PSB11) of the retinal chromophore to its all-trans isomer (PSBT) is examined. Optimized structures on both the ground state and the excited state are calculated, and the dependence on torsional angles in the carbon chain is investigated. Time-dependent density...

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Veröffentlicht in:	The journal of physical chemistry. B 2010-04, Vol.114 (16), p.5547-5555
Hauptverfasser:	Rostov, Ivan V, Amos, Roger D, Kobayashi, Rika, Scalmani, Giovanni, Frisch, Michael J
Format:	Artikel
Sprache:	eng
Schlagworte:	B: Biophysical Chemistry Norisoprenoids - chemistry Photochemical Processes Quantum Theory Retinaldehyde - chemistry Rotation Stereoisomerism
Online-Zugang:	Volltext
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