Chemistry
Ab Initio Calculation
6%
Band Gap
7%
Carbon Dioxide
5%
CCSD
26%
Chlorine Atom
14%
Density Functional Theory
32%
DFT-B3LYP Calculation
43%
Dissociation Energy
5%
Donor
10%
Dye-Sensitized Solar Cell
9%
Electron Transport
6%
Electronic State
9%
Energetics
31%
Enthalpy of Formation
8%
Ethylene
7%
Excited State
7%
Fullerene
5%
Ground State
7%
Hole Mobility
8%
Hole Transport
5%
Hydrogen
65%
Hydrogen Atom
7%
Hydrogen Bond
10%
Hydroxyl Radical
7%
Isomerization
21%
Kinetic Isotope Effect
5%
Mechanistic Study
6%
Methane
7%
Molecular Dynamics
6%
Møller-Plesset Perturbation Theory
56%
Nitrogen Dioxide
17%
Organic Solar Cells
8%
Perovskite Solar Cell
10%
Polymerization
6%
Potential Energy Surface
48%
QCISD
28%
QCISD(T)
25%
Radical Reaction
8%
Rate Constant
100%
Reaction Activation Energy
5%
Reaction Path
7%
Structure
40%
Transition State
30%
Transition State Theory
44%
Transport Property
7%
Vibrational Frequency
5%
Material Science
Activation Energy
9%
Boron
5%
Copolymer
7%
Density
52%
Dissipative Particle Dynamics
7%
Dye-Sensitized Solar Cell
22%
Electrical Breakdown
5%
Electron Mobility
6%
Electron Transfer
8%
Electronic Circuit
7%
Electronic Property
8%
Electronic Structure
11%
Fullerene
5%
Graphene
5%
Hole Mobility
12%
Hydrogen Bonding
5%
Mechanical Strength
9%
Monolayers
7%
Optical Property
9%
Organic Semiconductor
5%
Organic Solar Cells
11%
Perovskite
14%
Perovskite Solar Cell
24%
Polyethylene
23%
Solar Cell
6%
Surface Energy
20%
Titanium Dioxide
11%
Engineering
Adsorption
7%
Computer Simulation
14%
Dynamic Method
14%
Energetics
10%
Energy Engineering
23%
Energy Gap
6%
Energy Surface
7%
Experimental Value
5%
Good Agreement
6%
Hydrogen Abstraction
25%
Low-Temperature
6%
Perovskite Solar Cells
8%
Potential Energy
10%
Rate Constant
38%
Reactant
7%
Stationary Point
8%
Temperature Range
22%
Theoretical Study
34%
