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Publications by Jiabo Le
The Structure of Metal-Water Interface at the Potential of Zero Charge From Density Functional Theory-Based Molecular Dynamics
Journal of Electroanalytical Chemistry
Analytical Chemistry
Chemical Engineering
Electrochemistry
Related publications
Dehydrogenation Free Energy of Co2+(aq) From Density Functional Theory-Based Molecular Dynamics
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Heterogeneity of Water Structure and Dynamics at the Protein-Water Interface
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
A Density Functional Theory Study of the Charge State of Hydrogen in Metal Hydrides
Journal of Physical Chemistry C
Surfaces
Energy
Nanoscience
Theoretical Chemistry
Optical
Magnetic Materials
Films
Nanotechnology
Electronic
Coatings
Physical
Simulating SurfactantIron Oxide Interfaces: From Density Functional Theory to Molecular Dynamics
Structures and Energetics of Silicon Nanotubes From Molecular Dynamics and Density Functional Theory
Physical Review B
Geometries of Transition-Metal Complexes From Density-Functional Theory
Cluster/Polarized Continuum Models for Density Functional Theory Investigations of Benzimidazole Corrosion Inhibitors at Metal/Solution Interface
Corrosion
Materials Science
Chemistry
Chemical Engineering
Structure and Gas Transport at the Polymer-Zeolite Interface: Insights From Molecular Dynamics Simulations
ACS Applied Materials & Interfaces
Medicine
Materials Science
Nanotechnology
Nanoscience
Structure, Dynamics, and Wettability of Water at Metal Interfaces
Scientific Reports
Multidisciplinary
