Keyphrases
Silica Surface
100%
ReaxFF Potential
100%
Functional Investigation
100%
Density Functional
100%
Coupled Cluster
100%
Oxygen Interaction
100%
Silica
66%
Spin State
66%
Gas-surface Interaction
66%
Molecular Dynamics Simulation
33%
Doublet
33%
Triplet
33%
Surface Reconstruction
33%
Molecular Oxygen
33%
Parametrized
33%
Surface Defects
33%
Singlet
33%
Silica Polymorphs
33%
Interaction Energy
33%
O Atom
33%
Ring Structure
33%
Atomic Oxygen
33%
Binding Energy Calculations
33%
CCSD(T)
33%
Explicitly Correlated
33%
Oxide Growth
33%
Multiscale Molecular Dynamics
33%
Electronic Structure Theory
33%
Physics
Surface Reaction
100%
Molecular Dynamics
50%
Binding Energy
50%
Energy Levels
50%
Surface Defect
50%
Polymorphism
50%
Chemistry
Silicon Dioxide
100%
Coupled Cluster
100%
Spin State
33%
Binding Energy
16%
Electronic State
16%
Molecular Dynamics
16%
Dioxygen
16%
CCSD
16%
Surface Reconstruction
16%
Material Science
Density
100%
Silicon Dioxide
100%
Oxide Compound
16%
Surface Defect
16%
Surface Reconstruction
16%