Massimo Olivucci
www.lcpp.bgsu.edu
0000-0002-8247-209X
223 papers found
Refreshing results…
Excited-state potential surface crossings in acrolein: A model for understanding the photochemistry and photophysics of α,β-enones
Ab initio MC-SCF study of thermal and photochemical [2 + 2] cycloadditions
Molecular mechanics valence bond methods for large active spaces. Application to conjugated polycyclic hydrocarbons
A conical intersection mechanism for the photochemistry of butadiene. A MC-SCF study
An MC-SCF study of the S1 and S2 photochemical reactions of benzene
A new mechanistic scenario for the photochemical transformation of ergosterol: an MC-SCF and MM-VB [molecular mechanics-VB] study
Optimization and characterization of the lowest energy point on a conical intersection using an MC-SCF Lagrangian
An MC-SCF study of the thermal and photochemical cycloaddition of Dewar benzene
The existence and stability of singlet tetramethylene biradicals: an ab initio MCSCF/MP2 study
Simulation of MC-SCF results on covalent organic multi-bond reactions: molecular mechanics with valence bond (MM-VB)
Chemiluminescent decomposition of 1,2-dioxetanes: an MC-SCF/MP2 study with VB analysis
Predicting forbidden and allowed cycloaddition reactions: potential surface topology and its rationalization
The mechanism of ground-state-forbidden photochemical pericyclic reactions: evidence for real conical intersections
Factors controlling the synchronous versus asynchronous mechanism of the Cope rearrangement
A VB model of transition structure regions of the potential energy surfaces for forbidden and allowed cycloaddition reactions
The diabatic surface method: A model for chemical reactivity
Potential energy surfaces of cycloaddition reactions
An MC SCF study of the nucleophilic addition of OH− to ethene and formaldehyde
Parametrization of a Heitler–London valence bond Hamiltonian from complete-active-space self-consistent-field computations: An application to chemical reactivity
Diabatic surfaces for two-bond addition reactions. The role of resonance interaction
Missing publications? Search for publications with a matching author name.