Browsing by Author Fernando, Bernardi


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Issue DateTitleAuthor(s)Third Mission
1996[18]Annulene: a benzene-like S0/S1 conical intersection located with CASSCF + GVBMichael J., Bearpark; Fernando, Bernardi; Simon, Clifford; Olivucci, Massimo ; Michael A., Robb; Thom, VrevenNot applicable
1997Ab Initio Photoisomerization Dynamics of a Simple Retinal Chromophore ModelThom, Vreven; Fernando, Bernardi; Marco, Garavelli; Olivucci, Massimo ; Michael A., Robb; H., Bernhard SchlegelNot applicable
2000An ab Initio Study of the Photochemical Decomposition of 3,3-DimethyldiazirineFernando, Bernardi; Olivucci, Massimo ; Michael A., Robb; Thom, Vreven; Juan, SotoNot applicable
1996The Azulene S1State Decays via a Conical Intersection:  A CASSCF Study with MMVB DynamicsMichael J., Bearpark; Fernando, Bernardi; Simon, Clifford; Olivucci, Massimo ; Michael A., Robb; Barry R., Smith; Thom, VrevenNot applicable
1997Benchmarking the Molecular Mechanics−Valence Bond Method:  Photophysics of Styrene and IndeneMichael J., Bearpark; Fernando, Bernardi; Olivucci, Massimo ; Michael A., RobbNot applicable
1992Can a photochemical reaction be concerted? A theoretical study of the photochemical sigmatropic rearrangement of but-1-eneFernando, Bernardi; Olivucci, Massimo ; Michael A., Robb; Glauco, TonachiniNot applicable
1996Can Fulvene S1Decay Be Controlled? A CASSCF Study with MMVB DynamicsMichael J., Bearpark; Fernando, Bernardi; Olivucci, Massimo ; Michael A., Robb; Barry R., SmithNot applicable
1999Characterization of the indacene S0/S1 conical intersection: an MMVB and CASSCF studyMichael J., Bearpark; Paolo, Celani; Franck, Jolibois; Olivucci, Massimo ; Michael A., Robb; Fernando, BernardiNot applicable
1991Chemiluminescent decomposition of 1,2-dioxetanes: an MC-SCF/MP2 study with VB analysisMar, Reguero; Fernando, Bernardi; Andrea, Bottoni; Olivucci, Massimo ; Michael A., RobbNot applicable
1995‘Classical wavepacket’ dynamics through a conical intersection. Application to the S1/S0 photochemistry of benzeneBarry R., Smith; Michael J., Bearpark; Michael A., Robb; Fernando, Bernardi; Olivucci, Massimo Not applicable
1999Computational methods in mechanistic and exploratory photochemistryOlivucci, Massimo ; Fernando, Bernardi; Michael, RobbNot applicable
2002Computer simulation of photoinduced molecular motion and reactivityMarco, Garavelli; Fernando, Bernardi; Michael A., Roob; Olivucci, Massimo Not applicable
1993A concerted nonadiabatic reaction path for the singlet di-π-methane rearrangementMar, Reguero; Fernando, Bernardi; Helen, Jones; Olivucci, Massimo ; Ioannis N., Ragazos; Michael A., RobbNot applicable
1997Conical Intersection Mechanism for Photochemical Ring Opening in Benzospiropyran CompoundsPaolo, Celani; Fernando, Bernardi; Olivucci, Massimo ; Michael A., RobbNot applicable
1993A conical intersection mechanism for the photochemistry of butadiene. A MC-SCF studyOlivucci, Massimo ; Ioannis N., Ragazos; Fernando, Bernardi; Michael A., RobbNot applicable
1996Conical Intersection Pathways in the Photocycloaddition of Ethene and Benzene:  A CASSCF Study with MMVB DynamicsSimon, Clifford; Michael J., Bearpark; Fernando, Bernardi; Olivucci, Massimo ; Michael A., Robb; Barry R., SmithNot applicable
1996Conical Intersections in the Theory of Organic Singlet PhotochemistryFernando, Bernardi; Olivucci, Massimo ; Josef, Michl; Michael A., RobbNot applicable
1997Cooperating Rings in cis-Stilbene Lead to an S0/S1 Conical IntersectionMichael J., Bearpark; Fernando, Bernardi; Simon, Clifford; Olivucci, Massimo ; Michael A., Robb; Thom, VrevenNot 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