Keyphrases
Embedding Method
100%
Oxides
100%
Zeolite
100%
Polarizable
100%
Density Functional Method
100%
Cluster Embedding
100%
Pure Silica
66%
Pseudo-atom
66%
Degrees of Freedom
33%
New Forces
33%
Force Field
33%
Good Accuracy
33%
Computational Methods
33%
Hydroxyl Group
33%
Mechanical Interaction
33%
Electrostatic Interaction
33%
Model Cluster
33%
Functional Program
33%
Shell Model
33%
Monovalent Cations
33%
Density Functional
33%
Chabazite
33%
Generalized Gradient Approximation
33%
Dangling Bonds
33%
Pure Al
33%
Polar Covalent Bond
33%
Quantum Mechanics-molecular Mechanics
33%
Chemistry
Purity
100%
Silicon Dioxide
100%
Density Functional Theory
100%
Hydroxyl Group
50%
Electrostatic Force
50%
Cluster Model
50%
Molecular Mechanic
50%
Chabazite
50%
Generalized Gradient Approximation
50%
Dangling Bond
50%
Polar Covalent Bond
50%
Material Science
Density
100%
Silicon Dioxide
100%
Zeolite
100%
Oxide Compound
100%
Covalent Bond
50%
Chabazite
50%
Engineering
Covalent
100%
Pure Silica
50%
Degree of Freedom
25%
Energy Engineering
25%
Structural Parameter
25%
Good Accuracy
25%
Directional
25%
Saturates
25%
Bridging
25%
Mechanical Interaction
25%
Shell Model
25%
Model Type
25%
Molecular Mechanic
25%
Generalized Gradient Approximation
25%
Dangling Bond
25%
Electrostatic Force
25%