Browsing by Author Paolo, Celani

Showing results 1 to 18 of 18
Issue DateTitleAuthor(s)Third Mission
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
1999A computational study of the Dougherty model for the prediction of high-spin states in organic chemistryPilar, Lafuente; Juan J., Novoa; Michael J., Bearpark; Paolo, Celani; Olivucci, Massimo ; Michael A., RobbNot applicable
1997Conical Intersection Mechanism for Photochemical Ring Opening in Benzospiropyran CompoundsPaolo, Celani; Fernando, Bernardi; Olivucci, Massimo ; Michael A., RobbNot applicable
1996Do Photochemical Ring-Openings Occur in the Spectroscopic State? 1B2 Pathways for the Cyclohexadiene/Hexatriene Photochemical InterconversionPaolo, Celani; Fernando, Bernardi; Michael A., Robb; Olivucci, Massimo Not applicable
1994Excited-state cis-trans isomerization of cis-hexatriene. A CAS-SCF computational studyOlivucci, Massimo ; Fernando, Bernardi; Paolo, Celani; Ioannis, Ragazos; Michael A., RobbNot applicable
1995Excited-state reaction pathways for s-cis buta-1,3-dienePaolo, Celani; Fernando, Bernardi; Olivucci, Massimo ; Michael A., RobbNot applicable
1992The existence and stability of singlet tetramethylene biradicals: an ab initio MCSCF/MP2 studyFernando, Bernardi; Andrea, Bottoni; Paolo, Celani; Olivucci, Massimo ; Michael A., Robb; Alessandro, VenturiniNot 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
1998An MC-SCF/MP2 Study of the Photochemistry of 2,3-Diazabicyclo[2.2.1]hept-2-ene:  Production and Fate of Diazenyl and Hydrazonyl BiradicalsNaoko, Yamamoto; Olivucci, Massimo ; Paolo, Celani; Fernando, Bernardi; Michael A., RobbNot 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
1998On the Validity of the McConnell-I Model of Ferromagnetic Interactions:  The [2.2]Paracyclophane ExampleMercè, Deumal; Juan J., Novoa; Michael J., Bearpark; Paolo, Celani; Olivucci, Massimo ; Michael A., RobbNot 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
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
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
1995Theoretical Study of the Aromatic Character of the Transition States of Allowed and Forbidden CycloadditionsFernando, Bernardi; Paolo, Celani; Olivucci, Massimo ; Michael A., Robb; Giorgio Suzzi, ValliNot applicable
1994What Happens during the Picosecond Lifetime of 2A1 Cyclohexa-1,3-diene? A CAS-SCF Study of the Cyclohexadiene/Hexatriene Photochemical InterconversionPaolo, Celani; Stefano, Ottani; Olivucci, Massimo ; Fernando, Bernardi; Michael A., RobbNot applicable