Keyphrases
1-butene
33%
Activation Barrier
28%
Adsorption
16%
Anions
16%
Back-donation
17%
Bimetallic
25%
C-H Bond Activation
33%
C-O Bond
16%
Californium
27%
Catalytic Activity
24%
Charge Displacement
17%
Charge-displacement Analysis
25%
Chelate Complexes
16%
CoFe
16%
Density Functional Calculations
27%
Density Functional Theory
60%
Dimerization
44%
Dioxygen
33%
Electron-donating
25%
Electronic Properties
26%
Electronic Structure
34%
Gold(I)
28%
Hydride Complexes
25%
Isobutene Dimerization
20%
Large Molecules
16%
Ligand Chemistry
16%
Ligand Effects
55%
Linker
18%
Mechanistic Studies
19%
Metal Cations
25%
Metal-organic Frameworks (MOFs)
100%
Minimum Energy Crossing Point
22%
Multiconfigurational
22%
N-heterocyclic Carbenes
16%
Nucleophilic Attack
22%
Oxidative Addition
33%
Oxide Cluster
25%
Perovskite
16%
Plutonium
16%
Protodeauration
25%
Proton-coupled Electron Transfer
16%
Rate-determining Step
16%
Single Metal
25%
Spin State
27%
Spin-forbidden
22%
Spin-forbidden Reaction
19%
Spin-orbit Coupling
47%
Transition State
25%
UiO-66
54%
Zr-based MOFs
16%
Chemistry
Actinoid Atom
16%
Alkyne
16%
Anisotropy
16%
Base
16%
Butene
16%
C-H Bond Activation
33%
Californium
27%
Carbene
31%
Carbon Atom
17%
Carbon Dioxide
16%
CASSCF Calculation
16%
Catalysis
21%
Cation
20%
Chemistry
41%
Cyclization Reaction
25%
Density Functional Theory
86%
Density Functional Theory Approaches
16%
Dimerization
25%
Dioxygen
41%
Dissociation Energy
16%
Doping Material
16%
Electron Transfer
33%
Electron Transport
33%
Electronic Property
34%
Electronic State
49%
Energy Barrier
16%
Ethylene
16%
Gallium
16%
Heterogeneous Catalysis
16%
Hydrogen Atom
25%
Hydrogenation
16%
Iridium
16%
Mechanistic Study
20%
Metal Organic Framework
100%
Metal-Organic Framework
27%
N-Heterocyclic Carbene
16%
NMR Spectroscopy
20%
Oxidative Addition
33%
Perovskite Solar Cell
16%
Photoredox
16%
Plutonium
16%
Potential Energy Surface
30%
Radiolysis
16%
Rhodium
16%
Spin State
42%
Spin-Orbit Coupling
44%
Transition Metal Oxide
16%
Transition State
30%
Tris
16%
UiO-66
30%
