Effect of external electric field on the electronic and magnetic properties of doped silicon carbide nanotubes: DFT

Directionality and additivity effects of molecular acidity and aromaticity for substituted benzoic acids under external electric fields

“…Essential in many chemical and physical phenomena and processes, the impact of external fields has attracted noticeable attention lately in the literature [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16] because it can influence the molecular structure, [17][18][19][20][21][22] chemical reactivity, [23][24][25][26][27][28] and other electronic properties. [29][30][31][32][33][34] In a previous study, we investigated the impact of uniform external electric fields on molecular acidity and aromaticity propensities for the benzoic acid molecule. 35 This was done through altering the direction and strength of an external electric field applied to the molecule and then calculating its acidity and aromaticity values.…”