Chemistry
Metal Ion
100%
Density Functional Theory
90%
DFT-B3LYP Calculation
88%
stability
69%
Alkene
67%
Density Functional Theory
64%
formation
59%
Electronic State
59%
Binding Energy
58%
CCSD
52%
Radical Cation
50%
Amino Acid
49%
Nitrogen Dioxide
48%
Energy Barrier
45%
Proton Transfer
44%
Ground State
43%
electronics
43%
Guanine
42%
Carbene
41%
Catalyst Activity
40%
First Principle
38%
Coordination Sphere
38%
Ammonia
36%
Hydrogen Bond
34%
Hydrogen
29%
Amyloid Fibril
29%
Mass Spectrometry
27%
Cytosine
25%
Vibrational Frequency
24%
protonation
24%
cyclopropanation
24%
Purity
23%
Enyne
21%
Conformational Isomer
21%
olefin metathesis
21%
Solvent Effect
20%
Point Group C2v
20%
Proton Affinity
19%
Adenine
19%
Imidazole
19%
Nanoparticle
19%
Enzymatic Hydrolysis
19%
Nucleobase
19%
Aromatic Amino Acid
16%
Alkalinity
16%
Amino Group
15%
Quantum Chemical Calculations
15%
Donor
15%
Phe-Tyr
15%
Phe-His
15%
Keyphrases
Cu2+
98%
Cu +
83%
Glycine
69%
Radical Cation
53%
Binding Energy
50%
Coordination Properties
48%
Metal Cations
46%
Guanine
46%
CCSD(T)
44%
Alzheimer's Disease
42%
B3LYP
40%
Gas-phase Reactivity
38%
IrO2
38%
Thioflavin T
38%
Carbenes
36%
Relative Stability
34%
Density Functional Method
33%
Nucleobases
33%
Amino Acids
33%
Pt(II) Complexes
32%
Stable Structure
31%
Hydrogen Peroxide
29%
First-principles Calculations
29%
Catalytic Activity
29%
Gas Phase
28%
Density Functional
27%
Pentacoordinate
26%
DFT Calculations
26%
Electronic Structure
26%
Vibrational Frequencies
25%
Metal Coordination
25%
Olefins
25%
Alkene Metathesis
24%
Protonation
24%
Co2+
24%
Alkenes
24%
Coordination Modes
23%
Mass Spectrometry
23%
B3LYP Functional
23%
Grubbs
23%
Cyclopropanation
22%
Enynes
22%
Computational Approach
21%
Amyloid Fibrils
21%
Olefin Metathesis
21%
Oxygen Evolution Reaction
21%
Nanoparticles
20%
Energy Barrier
20%
NH2 Groups
20%
Hoveyda-Grubbs Catalyst
19%
