Keyphrases
Free Energy
55%
Carbon Dioxide
55%
Density of States
46%
Partition Function
44%
Energy Partitioning
41%
Methane
41%
Density Functional Theory
35%
Binary Mixture
34%
Force Field
28%
State Space Partitioning
27%
Partitioning Method
27%
Basin Hopping
25%
Circular Dichroism
20%
Proton Transfer
20%
CO2 Adsorption
20%
R134a
20%
Ab Initio Calculations
20%
Molybdenite
20%
Molecular Simulation
20%
Empirical Potentials
18%
Molecular Clusters
18%
Thermodynamic Properties
18%
Microscopic Structure
17%
Search Algorithm
17%
Thermophysical Properties
15%
Vibrational Frequencies
14%
Trend Study
13%
Thiophene
13%
Biohydrogen Production
13%
Molecular Dynamics Simulation
13%
Methanol Clusters
13%
Graphene-like MoS2
13%
Lignocellulosic Precursors
13%
Hydrolysate Composition
13%
Bio-H2 Production
13%
Dark Fermentation
13%
Two-dimensional Spectroscopy
13%
Polypeptide
13%
Near Ultraviolet
13%
Carbon Fiber
13%
Application Method
13%
Gibbs Ensemble Monte Carlo
13%
Stress-induced
13%
Chemical Potential
13%
Macromolecular Assembly
13%
Boron-dipyrromethene Dye
13%
Benzylamine
13%
Diketopyrrolopyrrole
13%
Spectroscopic Properties
13%
Structural Optimization
13%
Chemistry
Gibbs Free Energy
55%
Carbon Dioxide
55%
Partition Function
43%
Density of State
39%
Methane
39%
Carbon Dioxide
28%
Proton Transfer
27%
First Principle
23%
Copper Protein
20%
Molecular Mechanic
20%
k·p perturbation theory
19%
Thiophene
17%
Statistical Ensemble
17%
Monte Carlo Method
17%
Blue
17%
Cysteine
15%
Coupled Cluster Theory
14%
Circular Dichroism
13%
Vibrational Frequency
13%
Imidazole
13%
Benzylamine
13%
Fluorescence Lifetime
13%
Organic Solar Cells
13%
Fullerene
13%
Structure
13%
Virial Coefficient
13%
Radical Cation
13%
Molecular Modeling
13%
Electronic State
12%
Nanotube
12%
Chromophore
11%
Phase Equilibria
11%
Quantum Chemical Calculations
10%
Solvation
10%
Density Functional Theory
10%
Molecular Dynamics
9%
Ammonia
9%
Molecular Crystal
9%
Bond Order
9%
Anharmonicity
9%
Quantum Chemistry
9%
Ab Initio Calculation
9%
Multireference Configuration Interaction
8%
Chemical Potential
8%
Carbon Dioxide Electroreduction
6%
Difluoromethane
6%
Electronic Circular Dichroism
6%
Pentafluorophenyl Group
6%
Positive Ion
6%
Excited State
6%
Material Science
Density
100%
Carbon Dioxide
89%
Organic Solar Cells
41%
Thermal Conductivity
34%
Thermophysical Property
27%
Binary Mixture
27%
Electronic Structure Calculation
20%
Molecular Simulation
20%
Carbon Fiber
20%
Geopolymers
18%
Mechanical Strength
17%
Electronic Circuit
17%
Electronic Structure
17%
Solvation
16%
Hydrogen Bonding
16%
Film
14%
Ab Initio Calculation
13%
Conducting Polymer
13%
Molecular Crystal
13%
Graphene
13%
Fiber Reinforced Material
13%
Nanosheet
13%
Fullerene
13%
N-Type Doping
13%
Surface Energy
13%
Nanotube
9%
Heterojunction
8%
Electronic Property
8%
Electronic Component
7%
ZnO
6%
Interface (Material)
6%
Graphene Oxide
6%
Multilayer
6%
Non-Fullerene Acceptor
6%
Graphitic Carbon Nitride
6%
Amorphous Material
6%
Perovskite Solar Cell
6%
Polyethylene
6%
Nucleation
6%
Boron
6%
Nucleophilic Substitution
6%
Lithium Metal Anode
6%
Theoretical Calculation
6%
Al2O3
6%
Cerium Oxide
6%
Oxidation Reaction
6%
Epitaxy
6%
Ionic Liquid
6%
Polymer
6%
Monolayers
6%