Keyphrases
Ab Initio Calculations
49%
As-cast Organic Solar Cells
36%
Basin Hopping
57%
Binary Mixture
78%
Blend Film
43%
Carbon Dioxide
98%
Carbon Fiber
49%
Circular Dichroism
36%
CO2 Adsorption
49%
Coupled Cluster Theory
32%
Density Functional Theory
78%
Density of States
85%
Diketopyrrolopyrrole
36%
Empirical Potentials
32%
Energy Loss
47%
Energy Partitioning
73%
Energy Reduction
43%
Epoxy Composites
36%
Force Field
64%
Free Energy
98%
High Efficiency
32%
High Performance
36%
Methane
98%
Microscopic Structure
47%
Molecular Clusters
32%
Molecular Crystals
34%
Molecular Dynamics Simulation
34%
Molecular Simulation
43%
Molecular Systems
41%
Molybdenite
61%
Non-fullerene Acceptors
49%
Organic Solar Cells
69%
Partition Function
80%
Partitioning Method
49%
Perturbation Theory
32%
Phase Coexistence
36%
Power Conversion Efficiency
66%
Program Package
30%
Proton Transfer
49%
Quantum Chemistry
45%
R134a
49%
Search Algorithm
36%
Side-chain Engineering
36%
State Space Partitioning
49%
Thermodynamic Properties
33%
Thiophene
82%
Vertical Phase Distribution
36%
Virial Coefficients
36%
VOCs
65%
Water Cluster
32%
Chemistry
Ab Initio Calculation
24%
Ammonia
19%
Benzylamine
24%
Blue
49%
Carbon Dioxide
98%
Carbon Dioxide
74%
Cation
20%
Chromophore
24%
Circular Dichroism
24%
Configurational Bias Monte Carlo
18%
Coordination Number
18%
Copper Protein
36%
Coupled Cluster Theory
32%
Cysteine
27%
Density Functional Theory
37%
Density of State
70%
Difluoromethane
24%
Electron Transfer
19%
Electron Transport
19%
Electronic Circular Dichroism
24%
Electronic State
41%
Excited State
24%
Exciton
30%
First Principle
60%
Fluorescence Lifetime
24%
Fullerene
24%
Gibbs Free Energy
100%
Imidazole
24%
k·p perturbation theory
41%
Methane
90%
Molecular Crystal
34%
Molecular Dynamics
22%
Molecular Mechanic
36%
Molecular Modeling
24%
Monte Carlo Method
55%
Nanotube
28%
Organic Solar Cells
30%
Partition Function
77%
Perovskite Solar Cell
24%
Phase Equilibria
29%
Proton Transfer
49%
Quantum Chemical Calculations
24%
Quantum Chemistry
45%
Radical Cation
24%
Solvation
30%
Statistical Ensemble
36%
Structure
27%
Thiophene
47%
Vibrational Frequency
24%
Virial Coefficient
36%