Oriented external electric fields act as a “switch” of Pt-M/BC3N2 diatomic catalysts activate pristine ammonia borane dehydrogenation: A DFT study

Impacts of external fields on aromaticity and acidity of benzoic acid: a density functional theory, conceptual density functional theory and information-theoretic approach study

“…The impact of external fields has attracted considerable research interest in the recent literature. [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17] It is commonly believed that they can influence the structure, [18][19][20][21] reactivity, [22][23][24][25] and other electronic properties of a molecular system. [26][27][28][29] Earlier, we studied the behavior of chiral molecules in external fields and obtained similar results.…”