Using benzenediamine and benzenedithiol molecular junctions as benchmarks. we investigate the widespread analysis of the quantum transport conductance in terms of the projected density of states (PDOS) onto molecular orbitals (MOs). We first consider two different methods for identifying the relevant MOs: (1) diagonalization of the Hamiltonian of the isolated molecule and (2) diagonal... https://jalyttlers.shop/product-category/pelt/