Keyphrases
Adsorption
25%
Adsorption Energy
25%
All-metal
25%
B3LYP-D3
25%
CO 2
25%
CPO-27
100%
Extended X-ray Absorption Fine Structure (EXAFS)
25%
Frequency Shift
25%
H2 Molecule
25%
Hydrogen Peroxide
25%
In Situ Experiment
100%
Metal-organic Frameworks (MOFs)
100%
Microcalorimetric
25%
Ni Metal
100%
Ni2+
25%
Periodic Boundary Conditions
25%
Probe Molecule
25%
Simple Molecules
100%
Structure-activity Relationship
100%
UiO-66
25%
Vibration Mode
25%
Chemistry
Adsorption Energy
25%
DFT-B3LYP Calculation
25%
Energetics
25%
Enthalpy
25%
Extended X Ray Absorption Fine Structure Spectroscopy
25%
Metal Organic Framework
100%
Periodic Boundary Condition
25%
Powder X-Ray Diffractometry
25%
Structure-Activity Relationship
100%
UiO-66
25%
Physics
Energetics
25%
Enthalpy
25%
Frequency Shift
25%
Metal Organic Framework
100%
Periodic Boundary Condition
25%
Structure Activity Relationship
100%
Material Science
Extended X-Ray Absorption Fine Structure
25%
Metal-Organic Framework
100%