OLIVUCCI, MASSIMO
OLIVUCCI, MASSIMO
Dipartimento di Biotecnologie, Chimica e Farmacia
[18]Annulene: a benzene-like S0/S1 conical intersection located with CASSCF + GVB
1996-01-01 Bearpark, Michael J.; Fernando, Bernardi; Simon, Clifford; Olivucci, Massimo; Robb, Michael A.; Thom, Vreven
A Comparative Study of Modern Homology Modeling Algorithms for Rhodopsin Structure Prediction
2018-01-01 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
2000-01-01 Robb, Michael A.; Garavelli, Marco; Olivucci, Massimo; Bernardi, Fernando
A computational study of the Dougherty model for the prediction of high-spin states in organic chemistry
1999-01-01 Lafuente, Pilar; Novoa, Juan J.; Bearpark, Michael J.; Celani, Paolo; Olivucci, Massimo; Robb, Michael A.
A concerted nonadiabatic reaction path for the singlet di-π-methane rearrangement
1993-01-01 Reguero, M.; Jones, H.; Ragazos, I. N.; Robb, M. A.; Bernardi, F.; Olivucci, M.
A Conical Intersection Controls the Deactivation of the Bacterial Luciferase Fluorophore
2014-01-01 Gozem, S.; Mirzakulova, E.; Schapiro, I.; Melaccio, F.; Glusac, K. D.; Olivucci, M.
A conical intersection mechanism for the photochemistry of butadiene. A MC-SCF study
1993-01-01 Olivucci, Massimo; Ragazos, Ioannis N.; Bernardi, Fernando; Robb, Michael A.
A fast photoswitch for minimally perturbed peptides: investigation of the trans→cis photoisomerization of N-methylthioacetamide
2004-01-01 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
1997-01-01 Reguero, Mar; Bernardi, Fernando; Olivucci, Massimo; Robb, Michael A.
A new mechanistic scenario for the photochemical transformation of ergosterol: an MC-SCF and MM-VB [molecular mechanics-VB] study
1992-01-01 Bernardi, Fernando; Olivucci, Massimo; Ragazos, Ioannis N.; Robb, Michael A.
A novel biomimetic photochemical switch at work: design of a photomodulable peptide
2009-01-01 Sinicropi, Adalgisa; Bernini, Caterina; Basosi, Riccardo; Olivucci, Massimo
A quantitative analysis of the factors controlling the inversion barriers in AH3 molecules
1985-01-01 Bernardi, F.; Bottoni, A.; Olivucci, M.; Tonachini, G.
A simple approach for improving the hybrid MMVB force field: Application to the photoisomerization ofs-cis butadiene
2003-01-01 Garavelli, Marco; Ruggeri, Fabrizio; Ogliaro, Francois; Bearpark, Michael J.; Bernardi, Fernando; Olivucci, Massimo; Robb, Michael A.
A strategy for modeling of chemical reactivity using MC-SCF and MM-VB methods
1992-01-01 Olivucci, M.; Ragazos, J.; Robb, M. A.; Bernardi, F.
A surface hopping algorithm for nonadiabatic minimum energy path calculations
2015-01-01 Schapiro, Igor; Roca Sanjuán, Daniel; Lindh, Roland; Olivucci, Massimo
A Theoretical Study of the Low-Lying Excited States of trans- and cis-Urocanic Acid
1999-01-01 Page, Christopher S.; Merchan, Manuela; Serrano-Andrés, Luis; Olivucci, Massimo
A Theoretical Study of the Low-Lying States of the Anionic and Protonated Ionic Forms of Urocanic Acid
2000-01-01 Page, Christopher S.; Olivucci, Massimo; Merchán, Manuela
A Three-State Nonadiabatic Model for Intramolecular Electronic Energy Transfer (IEET) in 9-Anthryl-1‘-naphthylalkanes Studied by Molecular Mechanics/Valence Bond Dynamics
2000-01-01 Jolibois, Franck; Bearpark, Michael J.; Klein, Stéphane; Olivucci, Massimo; Robb, Michael A.
A Tiny Excited-State Barrier Can Induce a Multiexponential Decay of the Retinal Chromophore: A Quantum Dynamics Investigation
2005-01-01 Olivucci, Massimo; Lami, Alessandro; Santoro, Fabrizio
A VB Model of Transition Structure Regions of the Potential Energy Surfaces for Forbidden and Allowed Cycloaddition Reactions
1989-01-01 F., Bernardi; Olivucci, Massimo; M. A., Robb
| Titolo | Data di pubblicazione | Autore(i) | File | Abstract |
|---|---|---|---|---|
| [18]Annulene: a benzene-like S0/S1 conical intersection located with CASSCF + GVB | 1-gen-1996 | Bearpark, Michael J.; Fernando, Bernardi; Simon, Clifford; Olivucci, Massimo; Robb, Michael A.; 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 | Robb, Michael A.; Garavelli, Marco; Olivucci, Massimo; Bernardi, Fernando | - | |
| A computational study of the Dougherty model for the prediction of high-spin states in organic chemistry | 1-gen-1999 | Lafuente, Pilar; Novoa, Juan J.; Bearpark, Michael J.; Celani, Paolo; Olivucci, Massimo; Robb, Michael A. | - | |
| A concerted nonadiabatic reaction path for the singlet di-π-methane rearrangement | 1-gen-1993 | Reguero, M.; Jones, H.; Ragazos, I. N.; Robb, M. A.; Bernardi, F.; Olivucci, M. | - | |
| A Conical Intersection Controls the Deactivation of the Bacterial Luciferase Fluorophore | 1-gen-2014 | Gozem, S.; Mirzakulova, E.; Schapiro, I.; Melaccio, F.; Glusac, K. D.; Olivucci, M. | - | |
| A conical intersection mechanism for the photochemistry of butadiene. A MC-SCF study | 1-gen-1993 | Olivucci, Massimo; Ragazos, Ioannis N.; Bernardi, Fernando; Robb, Michael A. | - | |
| 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 | Reguero, Mar; Bernardi, Fernando; Olivucci, Massimo; Robb, Michael A. | - | |
| A new mechanistic scenario for the photochemical transformation of ergosterol: an MC-SCF and MM-VB [molecular mechanics-VB] study | 1-gen-1992 | Bernardi, Fernando; Olivucci, Massimo; Ragazos, Ioannis N.; Robb, Michael A. | - | |
| 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 | Bernardi, F.; Bottoni, A.; Olivucci, M.; Tonachini, G. | - | |
| A simple approach for improving the hybrid MMVB force field: Application to the photoisomerization ofs-cis butadiene | 1-gen-2003 | Garavelli, Marco; Ruggeri, Fabrizio; Ogliaro, Francois; Bearpark, Michael J.; Bernardi, Fernando; Olivucci, Massimo; Robb, Michael A. | - | |
| 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 | Page, Christopher S.; Merchan, Manuela; Serrano-Andrés, Luis; Olivucci, Massimo | - | |
| A Theoretical Study of the Low-Lying States of the Anionic and Protonated Ionic Forms of Urocanic Acid | 1-gen-2000 | Page, Christopher S.; Olivucci, Massimo; Merchán, Manuela | - | |
| 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 | Jolibois, Franck; Bearpark, Michael J.; Klein, Stéphane; Olivucci, Massimo; Robb, Michael A. | - | |
| A Tiny Excited-State Barrier Can Induce a Multiexponential Decay of the Retinal Chromophore: A Quantum Dynamics Investigation | 1-gen-2005 | Olivucci, Massimo; Lami, Alessandro; Santoro, Fabrizio | - | |
| 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 | - |