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Updated: May 30, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Comparative study of the interaction of O2 and C2H4 with small vanadium clusters from density functional theory

Jinli Du1, Mingli Yang, Jinlan Wang

  • 1Department of Physics, Southeast University, Nanjing, 211189, China.

The Journal of Physical Chemistry. A
|August 17, 2011
PubMed

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