Theoretical studies on the structures of one-dimensional Nin (n = 3, 5, 7) metal string complexes under the effect of electric field

The effect of electric field on the geometric and electronic structures of a series Nin (n = 3, 5, 7) metal strings have been investigated using DFT approach to reveal the electric field dependence of bond length, molecular energy, spin density, Mulliken charge, orbital energy and spatial distribution of the frontier orbitals.127