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