Effect of geometrical distortion on the electronic structure: synthesis and characterization of monoradical-coordinated mononuclear Cu (II) complexes
… 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 …
with a small structural deformation. However, in complex 2 the structural geometry was distorted …
Impact of lattice distortion and electron doping on α-MoO3 electronic structure
… 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 …
that understanding the relationship between geometric and electronic structures is essential to …
Peierls distortions in two and three dimensions and the structures of AB solids
JK Burdett, S Lee - Journal of the American Chemical Society, 1983 - ACS Publications
… 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 …
the /3-tin structure (left) and as the electronegativity difference ( ) between A,B atoms of the …
Geometric-distortions and physical structure modeling
DR Koehler - Indian Journal of Physics, 2013 - Springer
… 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 …
… Modeling utilizes the fundamental curvature equations of Riemannian geometry. It is limited …
Geometric distortion and spin-dependent electronic structure of C6H6-adsorbed Fe3O4 (001): A first-principles study
M Sun, X Wang, G Chen, W Mi - Journal of Applied Physics, 2017 - pubs.aip.org
… 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 …
electronic structures at the organic/… interfacial electronic structure through geometric deformation …
Geometric and electronic structure/function correlations in non-heme iron enzymes
EI Solomon, TC Brunold, MI Davis, JN Kemsley… - Chemical …, 2000 - ACS Publications
… Low-symmetry splittings arise from geometric distortions and can be rationalized with
standard LF theoretical arguments, while the covalency effects require molecular orbital …
standard LF theoretical arguments, while the covalency effects require molecular orbital …
How geometric distortions scatter electronic excitations in conjugated macromolecules
… electronic structure on the molecular geometry distortions. The following strategy has been
adopted: characterizing the localized change of excitation properties at the deformation with …
adopted: characterizing the localized change of excitation properties at the deformation with …
EPR, ENDOR, and Electronic Structure Studies of the Jahn–Teller Distortion in an FeV Nitride
GE Cutsail III, BW Stein, D Subedi… - Journal of the …, 2014 - ACS Publications
… 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 low-symmetry geometric distortion. In particular, the calculated Fe–N bond distance and …
Role of geometric distortion and polarization in localizing electronic excitations in conjugated polymers
… 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 …
states in … Thus, our investigation allows one to choose an appropriate electronic structure …
Jahn-Teller distortion geometries and electronic structures of Ga3Ge, GaGe3, and their ions
X Zhu - Spectrochimica Acta Part A: Molecular and …, 2007 - Elsevier
… 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 …
… Large geometry change occurs upon removing an electron from the ground state 2 A′ of …
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