Chemistry
Band Gap
12%
Benzene
19%
Charge Transfer
41%
Chemistry
11%
Chromophore
40%
Conductance
49%
Configuration Interaction
13%
Density Functional Theory
28%
Dicarboximide
12%
Dielectric Material
12%
dimer
24%
DNA
28%
Donor
59%
Electric Field
11%
electrode
53%
Electron Transport
100%
Electronic State
68%
electronics
95%
Energetics
16%
Energy Transfer
17%
Excited State
34%
Excitons
19%
First Principle
13%
formation
23%
Gaussian Distribution
16%
Ground State
25%
Hartree-Fock Calculation
22%
Hydrogen
11%
Hyperpolarizability
25%
Ion Pair
13%
k·p perturbation theory
15%
Molecular Dynamics
29%
Molecular Electronics
30%
Molecular Orbital
12%
Nanowire
26%
Nonequilibrium
23%
Oligomer
25%
Perturbation Theory
15%
Photoexcitation
13%
Polymer Electrolyte
14%
Potential Energy Surface
11%
Pseudopotential
21%
Quantum Interference
16%
Relaxation
25%
Solid Electrolyte
13%
Solvation
13%
Table Salt
19%
Tight Binding Model
26%
Transport Property
13%
Wave Function
20%
Keyphrases
Benzene
18%
Charge Recombination
15%
Charge Transfer
35%
Charge Transport
47%
Chromophore
42%
Conductance
51%
Current-voltage Characteristics
15%
Density Functional Theory
24%
Dephasing
13%
Dipole
19%
Donor-acceptor
22%
Donor-bridge-acceptor
13%
Electron Transfer
53%
Electron Transfer Rate
15%
Electron Transport
29%
Electronic Coupling
24%
Electronic Properties
17%
Electronic States
14%
Electronic Structure
49%
Energy Levels
13%
Excited States
23%
Field Approximation
18%
First-principles
15%
Hartree-Fock
15%
Hole Transport
14%
Hyperpolarizability
16%
Ionic Conductivity
16%
Molecular Dynamics Simulation
26%
Molecular Electronics
31%
Molecular Junctions
72%
Molecular Structure
14%
Molecular Wires
45%
Non-equilibrium
14%
Nonequilibrium Green's Function
15%
Nonlinear Optical Response
14%
Optical Properties
15%
Organic Photovoltaics
17%
Polymer Electrolyte
23%
Pseudopotential
18%
Quantum Interference
19%
Self-assembly
14%
Self-consistent Field
34%
Semiconductors
17%
Single Molecule
23%
Solid Electrolyte
21%
Superexchange
17%
Temperature Effect
16%
Transport Properties
14%
Tunneling
25%
Wave Function
24%