3 citations · 4 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024★ 1 cited
Theoretical Study of Reactivity Indices and Rough Potential Energy Curves for the Dissociation of 59 Fullerendiols in Gas-Phase and in Aqueous Solution with an Implicit Solvent Model
Anne Justine Etindele, Abraham Ponra, Mark E. Casida +2
Buckminsterfullerene, C, has not only a beautiful truncated icosahedral (soccerball) shape, but simple Hückel calculations predict a three-fold degenerate lowest unoccupied…
physics.chem-ph2020★ 3 cited
Development and Application of QM/MM Methods with Advanced Polarizable Potentials
Jorge Nochebuena, Sehr Naseem-Khan, G. Andrés Cisneros
Quantum Mechanics/Molecular Mechanics (QM/MM) simulations are a popular approach to study various features of large systems. A common application of QM/MM calculations is in the in…