117 citations · 120 across the 4 of their papers we have counts for
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physics.chem-ph2022★ 2 cited
A simple approach to hopping matrix elements between nearby molecules
Shane Donaher, Puja Agarwala, Scott T. Milner
The hopping matrix element quantifies the quantum-mechanical coupling between frontier orbitals on a pair of nearby molecules. Convenient and generally applicable methods to de…
physics.chem-ph1998★ 117 cited
Dynamics of n-alkanes: Comparison to Rouse Model
Maurizio Mondello, Gary S. Grest, Edmund B. Webb +2
The crossover to Rouse-like behavior for the self-diffusion constant D, the viscosity , and the equilibrium structural statistics of n-alkanes is studied nume…