Dimer complexation energies from DFT, comparing parallel and antiparallel molecular pairs, correlate with the presence or absence of polar order in several closely related liquid crystal families.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.soft 1years
2025 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
Polarity from the Bottom Up: A Computational Framework for Predicting Spontaneous Polar Order
Dimer complexation energies from DFT, comparing parallel and antiparallel molecular pairs, correlate with the presence or absence of polar order in several closely related liquid crystal families.