Keyphrases
Methanol
100%
Reductive Elimination
100%
Metallocage
100%
Rate Acceleration
100%
Pt(IV) Complexes
100%
Microsolvation
50%
Comparative Analysis
25%
Metal Systems
25%
Encapsulation Techniques
25%
Molecular Dynamics Simulation
25%
Energy Barrier
25%
Au(III)
25%
Gibbs Energy Barrier
25%
Energy Decomposition Analysis
25%
DFT Level
25%
Experimental Values
25%
Pt(IV)
25%
Metallic Systems
25%
AuPt
25%
Barrier Reduction
25%
QM Simulation
25%
Engineering
Reductive Elimination
100%
Energy Barrier
66%
Similarities
33%
Good Agreement
33%
Comparative Analysis
33%
Experimental Value
33%
Energy Engineering
33%
Metallic System
33%
Discrete Fourier Transform
33%
Gibbs Free Energy
33%
Chemistry
Reductive Elimination Reaction
100%
Energy Barrier
66%
Density Functional Theory
33%
Gibbs Free Energy
33%
Molecular dynamics simulation
33%
Chemical Engineering
Reductive Elimination
100%
Gibbs Free Energy
33%