Engineering
Local Density Approximation
100%
Good Agreement
50%
Energy Difference
50%
Highest Occupied Molecular Orbital
50%
Lowest Unoccupied Molecular Orbital
50%
Electrode Geometry
50%
Demonstrates
50%
Electron Volt
50%
Adsorption
50%
Electrostatics
50%
Chemistry
Thiol
100%
Density Functional Theory
66%
Dithiol
66%
Conductance
50%
Local-Density Approximation
33%
Transport Property
33%
Highest Occupied Molecular Orbital
16%
Thiol Group
16%
Dissociative Adsorption
16%
Lowest Unoccupied Molecular Orbital
16%
Hydrogen Atom
16%
Methanethiol
16%
Physics
Density Functional Theory
100%
Local Density Approximation
66%
Transport Property
66%
Adsorption
33%
Keyphrases
Electrode Separation
33%
Electrode Geometry
16%
Au(111) Surface
16%
Position Level
16%
Lowest Unoccupied Molecular Orbital
16%
Dissociative Adsorption
16%
Classical Model
16%