137 citations · 757 across the 35 of their papers we have counts for
Showing physics.chem-phShow all
3 papers · 1 filter
physics.chem-ph2026
Molecular Transferability of a Noble-Gas Coordinate for Electronegativity Equalization
Megan Simons, Jonathan Washburn, Elshad Allahyarov
Charge-equilibration models predict how electrons redistribute over a molecule more cheaply than quantum chemistry, and each begins from a table of atomic electronegativities and h…
physics.chem-ph2026
A Noble-Gas-Centered Coordinate for Within-Period Atomic Property Trends
Jonathan Washburn, Megan Simons, Elshad Allahyarov
We introduce a single dimensionless landscape function , , on the noble-gas-centred coordinate , and sho…
physics.chem-ph2000★ 12 cited
Discrete solvent effects on the effective interaction between charged colloids
E. Allahyarov, H. Löwen
Using computer simulations of two charged colloidal spheres with their counterions in a hard sphere solvent, we show that the granular nature of the solvent significantly influence…