activity
20222026
most citedDiagrammatic Multiplet-Sum Method (MSM) Density-Functional Theory (DFT): II. Completion of the Two-Orbital Two-Electron Model (TOTEM) with an Application to the Avoided Crossing in Lithium Hydride (LiH)

1 citations · 2 across the 5 of their papers we have counts for

collaborators
Showing 2022Show all

1 paper · 1 filter

physics.chem-ph2022

Binding Energies for Successive Addition Reaction of .OH with C60 : A Laboratory for Testing Frontier Molecular Orbital Theory

Abraham Ponra, Anne Justine Etindele, Ousmanou Motapon +1

We study the successive addition reaction of .OH on fullerene C60. We confirm that the lowest energy isomers of C60(OH)n form a belt of hydroxyl groups around the equator of C60, b…