Chemistry
Benzene
100%
Ab Initio Calculation
99%
Vibrational Frequency
74%
Binding Energy
53%
formation
51%
Hydrogen Bonding
48%
Hydrogen
46%
Vibrational Spectra
42%
Nanoparticle
38%
electronics
38%
Møller-Plesset Perturbation Theory
36%
Conductance
32%
dimer
31%
Ionophore
30%
Energetics
29%
Spectroscopy
28%
Ethylene
26%
stability
26%
IR Spectrum
24%
electrode
23%
Raman Spectra
23%
Molecular Orbital
23%
Electron Density
23%
Fluorobenzene
22%
Electronic State
22%
Electronic Property
21%
Polarizability
21%
Formic Acid
20%
Aromatic Structure
19%
Monomer
19%
Quinone
19%
Density Functional Theory
17%
Titanium Dioxide
16%
Conformational Isomer
16%
Base
15%
Difluorobenzene
15%
Molecular Cluster
15%
Nanotube
14%
Magnetic Property
14%
Infrared Radiation
14%
k·p perturbation theory
14%
Perturbation Theory
14%
Surface-Enhanced Raman Spectroscopy
14%
Nanomaterial
13%
Argon
13%
Methanol
12%
Field Ionization
12%
Laser Ablation
12%
Amino Acid
12%
protonation
12%
Keyphrases
Hydrogen Bonds (H-bonds)
69%
Benzene
68%
Ab Initio Study
63%
Vibrational Frequencies
62%
Ab Initio Calculations
56%
Electronic Properties
43%
Vibrational Spectra
42%
Binding Energy
41%
Interaction Energy
40%
Electronic Structure
33%
Water Cluster
30%
Nanoparticles
27%
Metal Electrode
27%
Pseudocarbyne
25%
Charge Transfer
25%
Water Molecule
24%
Dispersion Energy
23%
Carbon Chain
23%
Dopamine
23%
Ethene
23%
Molecular Conductance
22%
High-level Ab Initio Calculations
22%
Gold Clusters
21%
Rutile
21%
Aromatic Interactions
21%
Ionophore
21%
Surface-enhanced Raman Scattering
20%
Metal Clusters
20%
TiO2 Nanoparticles
20%
Electrostatic Energy
20%
Fluorobenzene
19%
Cation-anion Interaction
19%
Aromatics
18%
Gas Phase
18%
Magnetic Properties
18%
Density Functional Calculations
18%
Polarizability
17%
Carbon Dioxide
17%
Aromatic Ring
17%
Nanotubes
16%
Raman Spectra
16%
IR Spectra
16%
Exchange Repulsion
16%
Difluorobenzene
16%
Induction Energy
16%
Raman Activity
16%
Conductance
15%
Formic Acid
15%
Solvent Effect
15%
Hydrogen Saturation
15%
