Massimo Olivucci
Olivucci, Massimo.
![Sudoc [ABES], France](/viaf/images/flags/SUDOC.png "Sudoc [ABES], France")
Olivucci, M. (Massimo)
VIAF ID: 10142385 (Personal)
Permalink: http://viaf.org/viaf/10142385
Preferred Forms
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100 0 _
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Massimo Olivucci
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Olivucci
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Massimo
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100 1 _
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Olivucci, M.
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(Massimo)
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100 1 _
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Olivucci, M.
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(Massimo)
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100 1 _
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Olivucci, Massimo
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100 1 _
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Olivucci, Massimo
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100 1 _ ‡a Olivucci, Massimo
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100 1 _ ‡a Olivucci, Massimo.
4xx's: Alternate Name Forms (5)
Works
| Title | Sources |
|---|---|
| Computational photochemistry |
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| The mechanism of ground-state-forbidden photochemical pericyclic reactions: evidence for real conical intersections |
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| Mechanism of the Initial Conformational Transition of a Photomodulable Peptide |
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| Mechanism of the N-cyclopropylimine-1-pyrroline photorearrangement |
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| Minimum energy paths in the excited and ground states of short protonated Schiff bases and of the analogous polyenes |
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| A Model Study of the Mechanism of the Type B (Di-π-methane) and Lumiketone Rearrangement in Rotationally Constrained α,β-Enones |
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| Modeling Photochemical [4 + 4] Cycloadditions: Conical Intersections Located with CASSCF for Butadiene + Butadiene |
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| Modeling the fluorescence of protein-embedded tryptophans with ab initio multiconfigurational quantum chemistry: the limiting cases of parvalbumin and monellin |
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| Modern quantum chemistry with [Open]Molcas |
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| Modulation of thermal noise and spectral sensitivity in Lake Baikal cottoid fish rhodopsins |
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| Molcas8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table |
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| Molecular bases for the selection of the chromophore of animal rhodopsins |
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| Molecular mechanics valence bond methods for large active spaces. Application to conjugated polycyclic hydrocarbons |
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| The molecular mechanism of thermal noise in rod photoreceptors |
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| Molecular "Trigger" for the Radiationless Deactivation of Photoexcited Conjugated Hydrocarbons |
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| Multistate Multiconfiguration Quantum Chemical Computation of the Two-Photon Absorption Spectra of Bovine Rhodopsin |
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| New General Tools for Constrained Geometry Optimizations. |
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| A new mechanistic scenario for the photochemical transformation of ergosterol: an MC-SCF and MM-VB [molecular mechanics-VB] study |
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| OpenMolcas: From Source Code to Insight |
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| Optimization and characterization of the lowest energy point on a conical intersection using an MC-SCF Lagrangian |
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| Optomechanical Control of Quantum Yield in Trans-Cis Ultrafast Photoisomerization of a Retinal Chromophore Model |
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| Origin of Fluorescence in 11-cis Locked Bovine Rhodopsin |
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| Origin of the absorption maxima of the photoactive yellow protein resolved via ab initio multiconfigurational methods |
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| Photoactivation of the photoactive yellow protein: why photon absorption triggers a trans-to-cis Isomerization of the chromophore in the protein |
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| Photoisomerization acceleration in retinal protonated Schiff-base models |
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| Photoisomerization and Relaxation Dynamics of a Structurally Modified Biomimetic Photoswitch |
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| Photoisomerization mechanism of 11-cis-locked artificial retinal chromophores: acceleration and primary photoproduct assignment |
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| Photostability versus Photodegradation in the Excited-State Intramolecular Proton Transfer of Nitro Enamines: Competing Reaction Paths and Conical Intersections |
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| Potential-energy surfaces for ultrafast photochemistry Static and dynamic aspects |
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| Probing the Photochemical Funnel of a Retinal Chromophore Model via Zero-Point Energy Sampling Semiclassical Dynamics |
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| Probing the rhodopsin cavity with reduced retinal models at the CASPT2//CASSCF/AMBER level of theory |
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| Probing vibrationally mediated ultrafast excited-state reaction dynamics with multireference (CASPT2) trajectories |
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| Product Distribution in the Photolysis of s-cis Butadiene: A Dynamics Simulation |
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| Properties of the emitting state of the green fluorescent protein resolved at the CASPT2//CASSCF/CHARMM level. |
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| Protein Influence on Electronic Spectra Modeled by Multipoles and Polarizabilities |
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| QM/MM Investigation of the Spectroscopic Properties of the Fluorophore of Bacterial Luciferase |
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| QM/MM Studies of Light-responsive Biological Systems |
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| Quantum Chemical Modeling and Preparation of a Biomimetic Photochemical Switch |
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| Quantum chemical modeling of rhodopsin mutants displaying switchable colors |
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| Quantum Dynamics of Ultrafast Photoinduced Processes in Biological Molecules |
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| Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model |
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| Quenching of tryptophan (1)(pi,pi*) fluorescence induced by intramolecular hydrogen abstraction via an aborted decarboxylation mechanism |
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| Red-shifting mutation of light-driven sodium-pump rhodopsin |
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| Relationship between Excited State Lifetime and Isomerization Quantum Yield in Animal Rhodopsins: Beyond the One-Dimensional Landau-Zener Model |
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| The relationship between the nature of the critical points and the shape of the diabatic surfaces in multicenter reactions |
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| Relaxation Paths and Dynamics of Photoexcited Polyene Chains: Evidence for Creation and Annihilation of Neutral Soliton Pairs |
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| Relaxation Paths from a Conical Intersection: The Mechanism of Product Formation in the Cyclohexadiene/Hexatriene Photochemical Interconversion |
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| The retinal chromophore/chloride ion pair: structure of the photoisomerization path and interplay of charge transfer and covalent states. |
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| The Ring-Opening Reaction of Chromenes: A Photochemical Mode-Dependent Transformation |
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| The Role of Degenerate Biradicals in the Photorearrangement of Acylcyclopropenes to Furans |
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| The Role of the Intersection Space in the Photochemistry of Tricyclo[3.3.0.02,6]octa-3,7-diene |
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| Role of the Molecular Environment in Flavoprotein Color and Redox Tuning: QM Cluster versus QM/MM Modeling |
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| Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection |
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| The short-chain acroleiniminium and pentadieniminium cations: towards a model for retinal photoisomerization. A CASSCF/PT2 study |
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| Space and Time Evolution of the Electrostatic Potential During the Activation of a Visual Pigment. |
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| Stereochemical memory in the temperature-dependent photodenitrogenation of bridgehead-substituted DBH-type azoalkanes: inhibition of inverted-housane formation in the diazenyl diradical through the mass effect (inertia) and steric hindrance |
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| Structure, initial excited-state relaxation, and energy storage of rhodopsin resolved at the multiconfigurational perturbation theory level |
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| Structure of the intersection space associated with ZIE photoisomerization of retinal in rhodopsin proteins |
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| The Structure of the Nonadiabatic PhotochemicalTrans→CisIsomerization Channel inAll-TransOctatetraene |
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| Structure of the photochemical reaction path populated via promotion of CF(2)I(2) into its first excited state |
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| Structure, spectroscopy, and spectral tuning of the gas-phase retinal chromophore: the beta-ionone "handle" and alkyl group effect. |
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| A surface hopping algorithm for nonadiabatic minimum energy path calculations |
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| Switching on molecular iodine elimination through isomerization: The F 2 C–I–I isomer of difluorodiiodomethane |
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| Synthesis of biomimetic light-driven molecular switches via a cyclopropyl ring-opening/nitrilium ion ring-closing tandem reaction |
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| Synthesis, spectroscopy and QM/MM simulations of a biomimetic ultrafast light-driven molecular motor |
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| Systematic Excited State Studies of Reversibly Switchable Fluorescent Proteins |
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| Theoretical Study of the 1,2 Rearrangement of Housane Radical Cations: Key Role of a Transient Cyclopentane-1,3-diyl Intermediate |
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| Theory and Simulation of the Ultrafast Double-Bond Isomerization of Biological Chromophores |
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| A tiny excited-state barrier can induce a multiexponential decay of the retinal chromophore: a quantum dynamics investigation |
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| Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain |
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| Toward accurate computations in photobiology |
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| Toward an understanding of the retinal chromophore in rhodopsin mimics |
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| Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry |
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| Ultrafast decay of electronically excited singlet cytosine via a pi,pi* to n(O),pi* state switch |
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| The ultrafast photoisomerizations of rhodopsin and bathorhodopsin are modulated by bond length alternation and HOOP driven electronic effects |
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| Ultrafast Radiationless Deactivation of Organic Dyes: Evidence for a Two-State Two-Mode Pathway in Polymethine Cyanines |
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| Unique QM/MM potential energy surface exploration using microiterations |
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| Using the computer to understand the chemistry of conical intersections |
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| Vibrational coherence and quantum yield of retinal-chromophore-inspired molecular switches |
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| Web-ARM: A Web-Based Interface for the Automatic Construction of QM/MM Models of Rhodopsins |
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