… of the geometrical influences to the electronic structures … geometry to a significant extent
with a small structural deformation. However, in complex 2 the structural geometry was distorted …

… drawn to describe the relationship between geometric and electronic structures in MoO 3 . …
that understanding the relationship between geometric and electronic structures is essential to …

… Change in energy of the simple cubic levels as the structure is distorted geometrically to
the /3-tin structure (left) and as the electronegativity difference ( ) between A,B atoms of the …

… of localized geometric distortions as a source of microscopic physical particle-structures has
… Modeling utilizes the fundamental curvature equations of Riemannian geometry. It is limited …

… The dominant C 6 H 6 -induced geometric distortion results in … novel way to engineer the
electronic structures at the organic/… interfacial electronic structure through geometric deformation …

… Low-symmetry splittings arise from geometric distortions and can be rationalized with
standard LF theoretical arguments, while the covalency effects require molecular orbital …

… electronic structure on the molecular geometry distortions. The following strategy has been
adopted: characterizing the localized change of excitation properties at the deformation with …

… of the complex, (9) which justifies our neglect of self-consistent SOC effects associated with
the low-symmetry geometric distortion. In particular, the calculated Fe–N bond distance and …

… the interplay of geometrical distortion and polarization on the delocalization of these electronic
states in … Thus, our investigation allows one to choose an appropriate electronic structure …

… The electronic states of Ga 3 Ge, GaGe 3 and their ions are abundant in Jahn-Teller distortion
… Large geometry change occurs upon removing an electron from the ground state 2 A′ of …