Published on Web 02/27/2008
Relationship between the Excited State Relaxation Paths of Rhodopsin and Isorhodopsin Angela Strambi,†,‡ Pedro B. Coto,†,§ Luis Manuel Frutos,† Nicolas Ferre´ ,# and Massimo Olivucci*,§,‡ Dipartimento di Chimica, UniVersita` di Siena, Via Aldo Moro I-53100 Siena, Italy, Instituto de Ciencia Molecular (ICMOL) UniVersidad de Valencia, Institutos de Paterna, 22085, ES-46071, Valencia, Spain, Laboratoire de Chimie The´ orique et de Mode´ lisation Mole´ culaire, UMR 6517- CNRS UniVersite´ de ProVence, Case 521 - Faculte´ de Saint-Je´ roˆ me, AV. Esc. Normandie Niemen, 13397 Marseille Cedex 20, France, and Chemistry Department, Bowling Green State UniVersity, Bowling Green, Ohio 43403 Received July 3, 2007; E-mail:
[email protected];
[email protected] Abstract: The pigment Isorhodopsin, an analogue of the visual pigment Rhodopsin, is investigated via quantum-mechanics/molecular-mechanics computations based on an ab initio multiconfigurational quantum chemical treatment. The limited
