Chemistry
Transition State Theory
100%
Density Functional Theory
91%
formation
84%
Transition State
79%
DFT-B3LYP Calculation
69%
Density Functional Theory
50%
Hydroxyl Radical
48%
Radical Reaction
45%
Potential Energy Surface
44%
Strain Energy
40%
Rate Constant
37%
Pharmacokinetics
36%
Ethylene
35%
Ammonia
34%
Thermochemistry
33%
Rotamer
33%
Hydrogen
33%
Hydrogen Atom
32%
Master Equation
31%
Antineoplastic Agent
30%
Møller-Plesset Perturbation Theory
30%
CCSD
29%
Bimolecular Reaction
22%
Formation of Product
20%
Methanimine
20%
Cyclic Ether
19%
Reaction Path
17%
Monomer
17%
Gas Phase Reactions
17%
Combustion
17%
Benzene
16%
Tetrahydrofuran
16%
Lowest Unoccupied Molecular Orbital
15%
Electronic Property
15%
Growth Inhibitor
15%
Growth Inhibition
15%
Cascade Reaction
15%
Methanol
15%
Reorganization Energy
15%
Poisson Ratio
15%
Domino Reaction
15%
Bromine Oxide
15%
Ab Initio Calculation
15%
Structure-Activity Relationship
15%
Complexation
15%
Baylis-Hillman Reaction
15%
Perylene
15%
Aminopyridine
15%
Kinetic Study
15%
Electron Transport
15%
Engineering
Radical Reaction
30%
Temperature Range
30%
Rate Constant
30%
Kinetic Parameter
22%
Energy Surface
22%
Good Agreement
22%
Tunnel Construction
22%
Potential Energy
22%
Reactant
22%
Discrete Fourier Transform
22%
Experimental Result
15%
Theoretical Investigation
15%
Interfacial Layer
15%
Material Interface
15%
Pressure Range
15%
Strain Energy
15%
Perovskite Solar Cells
15%
Photodetector
15%
Gas-Phase
15%
Master Equation
15%
Phase Reaction
15%
Self-Powered
15%
Reaction Scheme
15%
Atmospheric Lifetime
15%
Ground State
15%
Measured Value
7%
Reaction Rate Constant
7%
Theory Rate
7%
Ring Diameter
7%
Molecular Electronics
7%
Rainwater
7%
Combustion
7%
Catalytic Reaction
7%
Low-Temperature
7%
Belts
7%
Functionals
7%
Atmospheric Aerosols
7%
Computational Resource
7%
Nanorods
7%
Silicon Dioxide
7%
Lowest Unoccupied Molecular Orbital
7%
Material Science
Density
56%
Electronic Property
47%
Surface Energy
45%
Perovskite Solar Cell
30%
Electron Transfer
30%
Interface Property
17%
Nanosheet
15%
Poisson Ratio
15%
Ab Initio Method
15%
Chemical Processing
15%
Nanorods
15%
Particle Formation
15%
Novel Material
15%
Oxidation Reaction
15%
Semiconductor Material
15%
Solar Cell
15%
Suspended Particulate Matter
15%
Surface (Surface Science)
11%
Organic Solar Cells
10%
Two-Dimensional Material
7%
Thin Films
7%
Organic Field Effect Transistors
7%
Light-Emitting Diode
7%
Electron Microscopy
7%
Optical Property
7%
UV-Visible Spectroscopy
7%
Scanning Electron Microscopy
7%
Electron Mobility
6%
Interface (Material)
5%