Full Name
Olivucci, Massimo
DBCF community
Discipline (SSD)
CHIM/06 - Chimica Organica
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Results 1-20 of 237 (Search time: 0.005 seconds).

Issue DateTitleAuthor(s)Third Mission
11996[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
22019a-ARM: Automatic Rhodopsin Modeling with Chromophore Cavity Generation, Ionization State Selection, and External Counterion PlacementPedraza-González, Laura Milena; De Vico, Luca ; Marin Perez, Maria Del Carmen ; Fanelli, Francesca; Olivucci, Massimo Not applicable
31997Ab Initio Photoisomerization Dynamics of a Simple Retinal Chromophore ModelThom, Vreven; Fernando, Bernardi; Marco, Garavelli; Olivucci, Massimo ; Michael A., Robb; H., Bernhard SchlegelNot applicable
42000An ab Initio Study of the Photochemical Decomposition of 3,3-DimethyldiazirineFernando, Bernardi; Olivucci, Massimo ; Michael A., Robb; Thom, Vreven; Juan, SotoNot applicable
52010An aborted double bicycle-pedal isomerization with hydrogen bond-breaking is the primary event in the Bacteriorhodopsin proton-pumpingAltoè, P; Cembran, A; Olivucci, Massimo ; Garavelli, M.Not applicable
62003The amide bond: pitfalls and drawbacks of the link atom schemeN., Ferre'; Olivucci, Massimo Not applicable
72010Anabaena sensory rhodopsin is a light-driven unidirectional rotorStrambi, A; Durbeij, B; Ferré, N; Olivucci, Massimo Not applicable
82008An Artificial Molecular Switch that Mimics the Visual Pigment and Completes its Photocycle in PicosecondsSinicropi, Adalgisa ; Martin, E.; Ryasantsev, M.; Helbing, J.; Briand, J.; Sharma, D.; Leonard, J.; Haacke, S.; Canizzo, A.; Chergui, M.; Zanirato, V.; Fusi, Stefania ; Santoro, F.; Basosi, Riccardo ; Ferré, N.; Olivucci, Massimo Not applicable
92015Assessment of Approximate Coupled-Cluster and Algebraic-Diagrammatic-Construction Methods for Ground- and Excited-State Reaction Paths and the Conical-Intersection Seam of a Retinal-Chromophore ModelTuna, Deniz; Lefrancois, Daniel; Wolański, Łukasz; Gozem, Samer; Schapiro, Igor; Andruniów, Tadeusz; Dreuw, Andreas; Olivucci, Massimo Not applicable
102013Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore ModelMiquel Huix, Rotllant; Michael, Filatov; Samer, Gozem; Igor, Schapiro; Olivucci, Massimo ; Nicolas, FerréNot applicable
112019Assessment of MC-PDFT Excitation Energies for a Set of QM/MM Models of RhodopsinsMarin Perez, Maria Del Carmen ; De Vico, Luca ; Dong, Sijia S.; Gagliardi, Laura; Truhlar, Donald G.; Olivucci, Massimo Not applicable
122017An average solvent electrostatic configuration protocol for QM/MM Free Energy Optimization: implementation and application to rhodopsin systemsOrozco-Gonzalez, Yoelvis; Manathunga, Madushanka; Marin Perez, Maria Del Carmen ; Agathangelou, Damianos; Jung, Kwang-Hwan; Melaccio, Federico; Ferré, Nicolas; Haacke, Stefan; Coutinho, Kaline; Canuto, Sylvio; Olivucci, Massimo Not applicable
131996The 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
141997Benchmarking the Molecular Mechanics−Valence Bond Method:  Photophysics of Styrene and IndeneMichael J., Bearpark; Fernando, Bernardi; Olivucci, Massimo ; Michael A., RobbNot applicable
152019Bile Acid Binding Protein Functionalization Leads to a Fully Synthetic Rhodopsin MimicPagano, Katiuscia; Paolino, Marco ; Fusi, Stefania ; Zanirato, Vinicio; Trapella, Claudio; Giuliani, Germano ; Cappelli, Andrea ; Zanzoni, Serena; Molinari, Henriette; Ragona, Laura; Olivucci, Massimo Not applicable
161997The C5H6NH2+Protonated Shiff Base:  Anab InitioMinimal Model for Retinal PhotoisomerizationM., Garavelli; P., Celani; F., Bernardi; M. A., Robb; Olivucci, Massimo Not applicable
171992Can 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
181996Can Fulvene S1Decay Be Controlled? A CASSCF Study with MMVB DynamicsMichael J., Bearpark; Fernando, Bernardi; Olivucci, Massimo ; Michael A., Robb; Barry R., SmithNot applicable
192004CASPT2//CASSCF and TDDFT//CASSCF Mapping of the Excited State Isomerization Path of a Minimal Model of the Retinal ChromophoreSimona, Fantacci; Annapaola, Migani; Olivucci, Massimo Not applicable
202006Characterization of the conical intersection of the visual pigment rhodopsin at the CASPT2//CASSCF/AMBER level of theoryCoto, P. B.; Sinicropi, Adalgisa ; De Vico, Luca ; Olivucci, Massimo ; N., FerréNot applicable