Keyphrases
Quantum Tunneling
100%
Tunneling
94%
Catalytic Cycle
89%
Energetic Span Model
62%
Heavy-atom Tunneling
55%
Turnover Frequency
49%
Chelates
36%
Ruthenium
33%
Olefin Metathesis
29%
Boron
29%
Benzylidene
27%
Double Hybrids
26%
Tunneling Effect
24%
Rate-determining Step
23%
Dispersion Correction
23%
Transition State
22%
Anions
21%
Density Functional Theory
21%
Hole Interaction
19%
Carbenes
19%
Halogen Bond
18%
Noncovalent Interactions
18%
Absolute Zero
18%
Cytochrome P450 (CYP450)
17%
Cross-coupling
17%
Kinetic Isotope Effect
17%
Spin-component-scaled
16%
Ring Expansion
15%
Dative Bond
15%
Cross-coupling Reaction
15%
Cryogenic Conditions
14%
Low Temperature
14%
Tunneling Mechanism
14%
Olefin Metathesis Reactions
14%
DFT Method
13%
Pincer Complexes
13%
Density Functional Calculations
13%
Sulfur
13%
Irradiation
13%
Heavy Atoms
13%
Charge Transfer
13%
Isomerization
13%
Small Curvature Tunneling
12%
Barrier Height
12%
Cryogenic Temperature
12%
Reactant Concentration
12%
Suzuki-Miyaura Reaction
11%
Jahn-Teller
11%
Ping-pong
11%
Nitrenium
11%
Chemistry
Density Functional Theory
85%
Turnover Frequency
51%
Ruthenium
41%
Energetics
37%
Alkene
35%
Rate Constant
32%
Carbene
30%
Hydrogen
28%
Zero-Temperature
26%
CCSD
23%
Organocatalysis
23%
Transition State
23%
Molecular Orbital
22%
Chemistry
21%
Møller-Plesset Perturbation Theory
19%
Palladium
19%
Kinetic Isotope Effect
18%
Calculation Method
17%
Cytochrome P450
17%
NMR Spectroscopy
17%
Donor
15%
Ring Expansion
15%
Ambient Reaction Temperature
15%
Gibbs Free Energy
15%
Lewis Base
14%
Solvation
14%
Chalcogen
14%
Isomerization
14%
Dissociation Energy
13%
Ground State
13%
Metathesis Reaction
13%
N-Heterocyclic Carbene
12%
Dehydrogenation
11%
Cobalt
11%
Pericyclic Reaction
11%
Cation
11%
Epoxidation
11%
Pincer Complex
11%
Hypervalence
11%
Wave Function
11%
Radical Anion
11%
Reactive Intermediate
11%
Electric Field
11%
Lewis Adduct
11%
Double Well Potential
11%
Rate-Determining Step
11%
Base
11%
Turnover Number
10%
Mechanistic Study
10%
Hydroxylation
10%
