OLIVUCCI, MASSIMO

OLIVUCCI, MASSIMO  

Dipartimento di Biotecnologie, Chimica e Farmacia  

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Risultati 1 - 20 di 280 (tempo di esecuzione: 0.001 secondi).
Titolo Data di pubblicazione Autore(i) File Abstract
[18]Annulene: a benzene-like S0/S1 conical intersection located with CASSCF + GVB 1-gen-1996 Michael J., Bearpark; Fernando, Bernardi; Simon, Clifford; Olivucci, Massimo; Michael A., Robb; Thom, Vreven -
A Comparative Study of Modern Homology Modeling Algorithms for Rhodopsin Structure Prediction 1-gen-2018 Nikolaev, Dmitrii M.; Shtyrov, Andrey A.; Panov, Maxim S.; Jamal, Adeel; Chakchir, Oleg B.; Kochemirovsky, Vladimir A.; Olivucci, Massimo; Ryazantsev, Mikhail N. -
A Computational Strategy for Organic Photochemistry 1-gen-2000 Michael A., Robb; Marco, Garavelli; Olivucci, Massimo; Fernando, Bernardi -
A computational study of the Dougherty model for the prediction of high-spin states in organic chemistry 1-gen-1999 Pilar, Lafuente; Juan J., Novoa; Michael J., Bearpark; Paolo, Celani; Olivucci, Massimo; Michael A., Robb -
A concerted nonadiabatic reaction path for the singlet di-π-methane rearrangement 1-gen-1993 Mar, Reguero; Fernando, Bernardi; Helen, Jones; Olivucci, Massimo; Ioannis N., Ragazos; Michael A., Robb -
A Conical Intersection Controls the Deactivation of the Bacterial Luciferase Fluorophore 1-gen-2014 Samer, Gozem; Ekaterina, Mirzakulova; Igor, Schapiro; Melaccio, Federico; Ksenija D., Glusac; Olivucci, Massimo -
A conical intersection mechanism for the photochemistry of butadiene. A MC-SCF study 1-gen-1993 Olivucci, Massimo; Ioannis N., Ragazos; Fernando, Bernardi; Michael A., Robb -
A fast photoswitch for minimally perturbed peptides: investigation of the trans→cis photoisomerization of N-methylthioacetamide 1-gen-2004 Jan, Helbing; Harald, Bregy; Jens, Bredenbeck; Rolf, Pfister; Peter, Hamm; Robert, Huber; Josef, Wachtveitl; DE VICO, Luca; Olivucci, Massimo -
A Model Study of the Mechanism of the Type B (Di-π-methane) and Lumiketone Rearrangement in Rotationally Constrained α,β-Enones 1-gen-1997 Mar, Reguero; Fernando, Bernardi; Olivucci, Massimo; Michael A., Robb -
A new mechanistic scenario for the photochemical transformation of ergosterol: an MC-SCF and MM-VB [molecular mechanics-VB] study 1-gen-1992 Fernando, Bernardi; Olivucci, Massimo; Ioannis N., Ragazos; Michael A., Robb -
A novel biomimetic photochemical switch at work: design of a photomodulable peptide 1-gen-2009 Sinicropi, Adalgisa; Bernini, Caterina; Basosi, Riccardo; Olivucci, Massimo -
A quantitative analysis of the factors controlling the inversion barriers in AH3 molecules 1-gen-1985 Fernando, Bernardi; Andrea, Bottoni; Olivucci, Massimo; Glauco, Tonachini -
A simple approach for improving the hybrid MMVB force field: Application to the photoisomerization ofs-cis butadiene 1-gen-2003 Marco, Garavelli; Fabrizio, Ruggeri; Francois, Ogliaro; Michael J., Bearpark; Fernando, Bernardi; Olivucci, Massimo; Michael A., Robb -
A strategy for modeling of chemical reactivity using MC-SCF and MM-VB methods 1-gen-1992 Olivucci, M.; Ragazos, J.; Robb, M. A.; Bernardi, F. -
A surface hopping algorithm for nonadiabatic minimum energy path calculations 1-gen-2015 Schapiro, Igor; Roca Sanjuán, Daniel; Lindh, Roland; Olivucci, Massimo -
A Theoretical Study of the Low-Lying Excited States of trans- and cis-Urocanic Acid 1-gen-1999 Christopher S., Page; Manuela, Merchán; Luis Serrano, Andrés; Olivucci, Massimo -
A Theoretical Study of the Low-Lying States of the Anionic and Protonated Ionic Forms of Urocanic Acid 1-gen-2000 Christopher S., Page; Olivucci, Massimo; Manuela, Merchán -
A Three-State Nonadiabatic Model for Intramolecular Electronic Energy Transfer (IEET) in 9-Anthryl-1‘-naphthylalkanes Studied by Molecular Mechanics/Valence Bond Dynamics 1-gen-2000 Franck, Jolibois; Michael J., Bearpark; Stéphane, Klein; Olivucci, Massimo; Michael A., Robb -
A Tiny Excited-State Barrier Can Induce a Multiexponential Decay of the Retinal Chromophore: A Quantum Dynamics Investigation 1-gen-2005 Olivucci, Massimo; Alessandro, Lami; Fabrizio, Santoro -
A VB Model of Transition Structure Regions of the Potential Energy Surfaces for Forbidden and Allowed Cycloaddition Reactions 1-gen-1989 F., Bernardi; Olivucci, Massimo; M. A., Robb -