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. 2018 Dec 7;10(12):1358. doi: 10.3390/polym10121358
15mer P3HT chain containing 15 monomers
50mer P3HT chain containing 50 monomers
εs solvent quality
KMC Kinetic Monte Carlo
MD Molecular Dynamics
μ0 Zero-field Mobility
OPLS Optimized Performance for Liquid Simulations
OPV Organic Photovoltaic
P3HT Poly(3-hexylthiophene)
ψ order parameter
ψ modified order parameter
ρ density
σ standard deviation
T Temperature
VRH Variable Range Hopping
QCC Quantum Chemical Calculations