activity
20112014
most citedvdW-DF Study of energetic, structural, and vibrational properties of small water clusters and ice Ih

54 citations · 174 across the 6 of their papers we have counts for

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Showing 2014Show all

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physics.chem-ph2014

The Combined Influence of Nuclear Quantum Effects and van der Waals Interactions on the Structure of Ambient Water

Jeffrey M. McMahon, Miguel A. Morales, Brian Kolb +1

Path-integral molecular dynamics simulations based on density functional theory employing exchange-correlation density functionals capable of treating nonlocal van der Waals (vdW)…