Massimo Olivucci
www.lcpp.bgsu.edu
0000-0002-8247-209X
219 papers found
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Theoretical Modelling as a Possible Tool in the Design of Photochromic Systems
Ultrafast Radiationless Deactivation of Organic Dyes: Evidence for a Two-State Two-Mode Pathway in Polymethine Cyanines
Theoretical Study of the 1,2 Rearrangement of Housane Radical Cations: Key Role of a Transient Cyclopentane-1,3-diyl Intermediate
A computational study of the Dougherty model for the prediction of high-spin states in organic chemistry
The short-chain acroleiniminium and pentadieniminium cations: towards a model for retinal photoisomerization. A CASSCF/PT2 study
Fluorescence of 2,3-Diazabicyclo[2.2.2]oct-2-ene Revisited: Solvent-Induced Quenching of the n,π*-Excited State by an Aborted Hydrogen Atom Transfer
The Thermal Decomposition of 1,2-Dioxetane Revisited
Characterization of the indacene S0/S1 conical intersection: an MMVB and CASSCF study
Photochemistry of Highly Alkylated Dienes: Computational Evidence for a Concerted Formation of Bicyclobutane
Initial Excited-State Relaxation of the Isolated 11-cis Protonated Schiff Base of Retinal: Evidence for in-Plane Motion from ab Initio Quantum Chemical Simulation of the Resonance Raman Spectrum
A theoretical study of the low-lying excited states of tram- and cis-urocanic acid
DFT Study of the Reactions between Singlet-Oxygen and a Carotenoid Model
On the Validity of the McConnell-I Model of Ferromagnetic Interactions: The [2.2]Paracyclophane Example
Mixed state `on the fly' non-adiabatic dynamics: the role of the conical intersection topology
Product Distributions from Molecular Mechanics−Valence Bond Dynamics: Modeling Photochemical [4 + 4] Cycloadditions
Minimum energy paths in the excited and ground states of short protonated Schiff bases and of the analogous polyenes
Dimerization of Silaethylene: Computational Evidence for a Novel Mechanism for the Formation of 1,3-Disilacyclobutane via a 1,2 Approach
An MC-SCF/MP2 Study of the Photochemistry of 2,3-Diazabicyclo[2.2.1]hept-2-ene: Production and Fate of Diazenyl and Hydrazonyl Biradicals
Discrimination between hydrogen atom and proton abstraction in the quenching of n, π* singlet-excited states by protic solvents
The Mechanism for Hydrogen Abstraction by n,π* Excited Singlet States: Evidence for Thermal Activation and Deactivation through a Conical Intersection
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