Keyphrases
Cost Barriers
100%
Cobalt
100%
Energy Cost
100%
Pyridyl
100%
Pyridine
100%
Kinetic Barrier
100%
Hydride Formation
100%
Dioxime
100%
Pendant Group
100%
Diimine
100%
Hydrogen Evolution
100%
Energy Barrier
66%
Proton Shuttle
66%
Co-reduction
66%
Metal Hydride
66%
Computational Analysis
33%
Methyl
33%
Electronic Structure
33%
Quantum Embedding
33%
Reduction Potential
33%
Coupled Cluster
33%
Intramolecular Charge Transfer
33%
CCSD(T)
33%
Cyclic Voltammetry
33%
Electronic Structure Calculations
33%
Level Description
33%
Metal Sites
33%
Protonation
33%
Embedding Method
33%
Local Region
33%
Wavefunction Methods
33%
Cocatalyst
33%
Transition Metal Complexes
33%
DFT Level
33%
Cluster Level
33%
Protonation Site
33%
Complete Decoupling
33%
Experimental Synthesis
33%
Hydrogen Evolution Catalyst
33%
Ligand Protonation
33%
Hydrogen Formation
33%
Transition Metal Catalysts
33%
Chemistry
Energetics
100%
Cobalt
100%
Hydrogen
100%
formation
100%
Electronic State
50%
Metal Hydride
50%
protonation
50%
Density Functional Theory
25%
Coupled Cluster
25%
CCSD
25%
Cyclic Voltammetry
25%
Transition-Metal Catalyst
25%
Reduction Potential
25%
Coordination Compound
25%
Transition Metal
25%
Material Science
Cobalt
100%
Hydrogen Evolution
100%
Metal Hydride
66%
Transition Metal
66%
Cyclic Voltammetry
33%
Hydride
33%
Electronic Structure Calculation
33%
Coordination Compound
33%
Energy Levels
33%
Chemical Engineering
Transition Metal
100%
Metal Complex
33%