Chemistry
Density Functional Theory
79%
Structure
32%
Fullerene
24%
Adsorption Energy
23%
DFT-B3LYP Calculation
20%
Nanomaterial
20%
Electronic Property
19%
Band Gap
19%
Non-Covalent Interactions
14%
Electronic State
13%
Graphene
13%
Heteroatom
12%
Quantum Theory
12%
Intermolecular Force
12%
Kd
11%
Transition Metals
11%
Nanocage
11%
Molecular Electronics
11%
Spectroscopy
11%
Hydrogen
10%
Schiff Base
9%
NMR Spectroscopy
9%
Natural Bond Orbital Analysis
9%
First Principle
8%
Cation
8%
Nanotube
8%
Dipole Moment
7%
Carboxamide
7%
Sulfonic Acid Derivative
7%
Frontier Orbital
7%
Hydrogen Bonding
7%
Chemisorption
7%
1H NMR Spectroscopy
6%
Molecular Modeling
6%
Binding Energy
6%
Electrostatic Potential
6%
Density Functional Theory Study
6%
Quantum Chemical Calculations
6%
Computational Chemistry
6%
Natural Bond Orbital
6%
Stabilization Energy
6%
Molecular Structure
5%
Bioactivity
5%
Density of State
5%
Molecular Property
5%
Antiinflammatory
5%
Conformational Isomer
5%
Excited State
5%
Single Crystal X-Ray Diffraction
5%
Photodegradation
5%
Material Science
Density
100%
Nanocrystalline Material
44%
Fullerene
32%
Nanotube
30%
Transition Metal
29%
Electronic Property
21%
Graphene
20%
Chemisorption
17%
Carbon Dioxide
16%
Nanoclusters
15%
Aluminum Nitride
12%
Silicon Carbide
12%
Nitrogen Dioxide
11%
Halide
10%
Theoretical Calculation
10%
Hybrid Material
9%
Lattice Constant
9%
Boron
9%
Adsorbent
8%
Aluminum
8%
Hydrogen Bonding
8%
Electronic Structure
8%
Gallium Nitride
7%
Nanocomposites
7%
Zirconium
7%
Desorption
7%
Boron Nitride
6%
X-Ray Spectroscopy
6%
Hydrogen Evolution
6%
Dielectric Material
6%
Alkali Metal
5%
Dye-Sensitized Solar Cell
5%
Capacitance
5%
Photovoltaics
5%
Indium
5%
Gallium
5%
Catalyst Activity
5%
