The Effect of Electric Field on the Frontier Orbitals of Organic Small Molecules: DFT Studies of Triphenylamine Derivatives
B Parks, L Wang - 2024 - chemrxiv.org
The effect of strong electric fields on four triphenylamine derivatives was investigated. Using
the optimized structures performed via B3LYP/6-31+ G (d, p) level of theory in vacuo, single …
the optimized structures performed via B3LYP/6-31+ G (d, p) level of theory in vacuo, single …