Michael Filatov

A Model “Rebound” Mechanism of Hydroxylation by Cytochrome P450:  Stepwise and Effectively Concerted Pathways, and Their Reactivity Patterns

François Ogliaro, Nathan Harris, Shimrit Cohen et al. · Journal of the American Chemical Society · 2000 · 391 citations

Rebound Mechanism, Proton-coupled Electron Transfer, Molecular Biology +23

Electronic Structure Makes a Difference: Cytochrome P-450 Mediated Hydroxylations of Hydrocarbons as a Two-State Reactivity Paradigm

Sason Shaik, Michael Filatov, Detlef Schröder et al. · Chemistry - A European Journal · 1998 · 350 citations

Engineering, Proton-coupled Electron Transfer, Organic Chemistry +18

The OpenMolcas <i>Web</i> : A Community-Driven Approach to Advancing Computational Chemistry

Giovanni Li Manni, Ignacio Fdez. Galván, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2023 · 286 citations · Full text

A spin-restricted ensemble-referenced Kohn–Sham method and its application to diradicaloid situations

Michael Filatov, Sason Shaik · Chemical Physics Letters · 1999 · 260 citations

Numerical Analysis, Physics

Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection

Samer Gozem, Federico Melaccio, Alessio Valentini et al. · Journal of Chemical Theory and Computation · 2014 · 212 citations

Localized Excited State, Engineering, Geometry +20