Browsing by Author Marco, Garavelli

Showing results 1 to 20 of 20
Issue DateTitleAuthor(s)Third Mission
1997Ab Initio Photoisomerization Dynamics of a Simple Retinal Chromophore ModelThom, Vreven; Fernando, Bernardi; Marco, Garavelli; Olivucci, Massimo ; Michael A., Robb; H., Bernhard SchlegelNot applicable
2002Computer simulation of photoinduced molecular motion and reactivityMarco, Garavelli; Fernando, Bernardi; Michael A., Roob; Olivucci, Massimo Not applicable
2002Cyclooctatetraene Computational Photo- and Thermal Chemistry:  A Reactivity Model for Conjugated HydrocarbonsMarco, Garavelli; Fernando, Bernardi; Alessandro, Cembran; Obis, Castaño; Luis Manuel, Frutos; Manuela, Merchán; Olivucci, Massimo Not applicable
1998DFT Study of the Reactions between Singlet-Oxygen and a Carotenoid ModelMarco, Garavelli; Fernando, Bernardi; Olivucci, Massimo ; Michael A., RobbNot applicable
2003Excited-State Singlet Manifold and Oscillatory Features of a Nonatetraeniminium Retinal Chromophore ModelAlessandro, Cembran; Fernando, Bernardi; Olivucci, Massimo ; Marco, GaravelliNot applicable
1997Force Fields for “Ultrafast” Photochemistry:  The S2(1Bu) → S1(2Ag) → S0(1Ag) Reaction Path forall-trans-Hexa-1,3,5-trieneMarco, Garavelli; Paolo, Celani; Fernando, Bernardi; Michael A., Robb; Olivucci, Massimo Not applicable
1995Geometry optimisation on a hypersphere. Application to finding reaction paths from a conical intersectionPaolo, Celani; Michael A., Robb; Marco, Garavelli; Fernando, Bernardi; Olivucci, Massimo Not applicable
1999Initial Excited-State Relaxation of the Isolated 11-cis Protonated Schiff Base of Retinal:  Evidence for in-Plane Motion from ab Initio Quantum Chemical Simulation of the Resonance Raman SpectrumMarco, Garavelli; Fabrizia, Negri; Olivucci, Massimo Not applicable
2001Intrinsically Competitive Photoinduced Polycyclization and Double-Bond Shift through a Boatlike Conical IntersectionMarco, Garavelli; Fernando, Bernardi; Vicente, Moliner; Olivucci, Massimo Not applicable
1995Molecular "Trigger" for the Radiationless Deactivation of Photoexcited Conjugated HydrocarbonsPaolo, Celani; Marco, Garavelli; Stefano, Ottani; Fernando, Bernardi; Michael A., Robb; Olivucci, Massimo Not applicable
1999Photochemistry of Highly Alkylated Dienes:  Computational Evidence for a Concerted Formation of BicyclobutaneMarco, Garavelli; Barbara, Frabboni; Monica, Fato; Paolo, Celani; Fernando, Bernardi; Michael A., Robb; Olivucci, Massimo Not applicable
1998Photoisomerization Path for a Realistic Retinal Chromophore Model:  The Nonatetraeniminium CationMarco, Garavelli; Thom, Vreven; Paolo, Celani; Fernando, Bernardi; Michael A., Robb; Olivucci, Massimo Not applicable
2001Product Distribution in the Photolysis of s-cis Butadiene:  A Dynamics SimulationMarco, Garavelli; Fernando, Bernardi; Olivucci, Massimo ; Michael J., Bearpark; Stephane, Klein; Michael A., RobbNot applicable
2000Relaxation Paths and Dynamics of Photoexcited Polyene Chains:  Evidence for Creation and Annihilation of Neutral Soliton PairsMarco, Garavelli; Barry R., Smith; Michael J., Bearpark; Fernando, Bernardi; Olivucci, Massimo ; Michael A., RobbNot applicable
1997Relaxation Paths from a Conical Intersection:  The Mechanism of Product Formation in the Cyclohexadiene/Hexatriene Photochemical InterconversionMarco, Garavelli; Paolo, Celani; Monica, Fato; Michael J., Bearpark; Barry R., Smith; Olivucci, Massimo ; Michael A., RobbNot applicable
1999The short-chain acroleiniminium and pentadieniminium cations: towards a model for retinal photoisomerization. A CASSCF/PT2 studyMarco, Garavelli; Fernando, Bernardi; Michael A., Robb; Olivucci, Massimo Not applicable
2003A simple approach for improving the hybrid MMVB force field: Application to the photoisomerization ofs-cis butadieneMarco, Garavelli; Fabrizio, Ruggeri; Francois, Ogliaro; Michael J., Bearpark; Fernando, Bernardi; Olivucci, Massimo ; Michael A., RobbNot applicable
2002Structure of the Conical Intersections Driving the cis-trans Photoisomerization of Conjugated MoleculesDiego Sampedro, Ruiz; Alessandro, Cembran; Marco, Garavelli; Olivucci, Massimo ; Werner, FußNot applicable
1996The Structure of the Nonadiabatic PhotochemicalTrans→CisIsomerization Channel in All-Trans OctatetraeneMarco, Garavelli; Paolo, Celani; Naoko, Yamamoto; Fernando, Bernardi; Michael A., Robb; Olivucci, Massimo Not applicable
1997Trans->cis isomerization in long linear polyenes as beta-carotene models: a comparative CAS-PT2 and DFT studyFernando, Bernardi; Marco, Garavelli; Olivucci, Massimo Not applicable