Keyphrases
Computational Study
92%
Gas Phase
79%
Transition State
62%
Elimination Reactions
60%
Cyclic Transition State
59%
Isopropyl
52%
Wiberg Bond Index
46%
Thermal Decomposition Mechanism
43%
Density Functional Theory
42%
Six-membered
42%
Thermolysis
40%
Methyl
39%
Ethyl
39%
Silver Nanoparticles
37%
M-xylene
34%
DFT Study
34%
Ammonia
34%
Rutile
34%
Mercury Removal
34%
Betanin
34%
Alkyl
34%
Leaf Extract
34%
Kalanchoe Blossfeldiana
34%
Gas-phase Elimination
34%
Silver Nanoparticles Synthesis
34%
Antibacterial Activity
34%
Reaction Mechanism
34%
Thermal Decomposition
31%
Synchronicity
28%
Aloe Vera
27%
Thermal Elimination
26%
Enthalpy of Formation
26%
B3LYP
26%
Bond-forming
23%
Breaking Process
23%
Stabilizing Agent
23%
Transmission Electron Microscopy
23%
Carbon Dioxide
23%
Bond Breaking
23%
Oxidative Addition
23%
Thione
21%
Tert-butyl
21%
Silver Nitrate
20%
Atomic Absorption Spectrometry
20%
Nanoparticles
18%
Aqueous Media
17%
4-Hydroxy-2-butanone
17%
Experimental Values
17%
Carbon Nanotubes Dispersion
17%
Oxalic Acid
17%
Chemistry
Transition State
100%
Density Functional Theory
79%
Elimination Reaction
69%
Møller-Plesset Perturbation Theory
66%
Pyrolysis
62%
Ethyl
52%
Density Functional Theory Study
34%
DFT-B3LYP Calculation
34%
Enthalpy of Formation
34%
Rate Constant
31%
Oxidative Addition
26%
Carbon Dioxide
18%
Butanone
17%
Oxalate Salt
17%
Oxalic Acid
17%
Gibbs Energy of Formation
17%
Thermodynamic Analysis
17%
Transmission Electron Microscopy
17%
Magnetic Nanoparticle
17%
Titanium Dioxide
17%
Hydrogen Transfer
17%
Antioxidant Capacity
17%
Molecular Dynamics
17%
Dye-Sensitized Solar Cell
17%
Benzoate
17%
Redox Reactions
17%
Disulfide
17%
Redox Process
17%
Halide
17%
Betanidin
17%
Betanin
17%
Antioxidant Agent
17%
Epimer
17%
Nucleophilic Substitution
17%
Chugaev Elimination
17%
Solvent Effect
17%
Statistical Thermodynamics
17%
Carbamates
17%
Donor
17%
Ethylene
14%
Thymol
13%
Xanthine
11%
1,3,4-thiadiazole
11%
1,2,4-Triazole
11%
Conformational Isomer
11%
Calorimetry
11%
Enthalpy of Vaporization
11%
Enthalpy of Combustion
11%
Decarboxylation
10%
Pourbaix Diagram
8%