Isotope Effects in Water: Differences of Structure, Dynamics, Spectrum, and Proton Transport between Heavy and Light Water from ReaxFF Reactive Force Field Simulations

Document Details

Document Type
Pub Defense Publication
Publication Date
Sep 06, 2018
Source ID
10.1021/acs.jpclett.8b02379

Entities

People

  • Adri van Duin
  • Weiwei Zhang
  • Xing Chen

Organizations

  • Pennsylvania State University
  • United States Army Research Laboratory