نتایج جستجو برای: ligand field theory

تعداد نتایج: 1570716  

Journal: :New Journal of Physics 2023

Abstract Novel electronic structure is central to Kitaev-like quantum spin liquid ground state in the van der Waals antiferromagnet α -RuCl 3 . In this octahedral low-spin 4 d 5 system, rich bandstructure includes Mott...

Journal: :Inorganic chemistry 2005
Patrick Hummel Jonas Oxgaard William A Goddard Harry B Gray

Over 35 years ago, the low-lying bands in the absorption spectra of metal hexacarbonyls were assigned to ligand-field (LF) excitations. Recent time-dependent density functional theory (TDDFT) calculations on M(CO)6 (M = Cr, Mo, W) are not in accord with this interpretation. Here we extend TDDFT calculations to the isoelectronic series V(CO)6-, Cr(CO)6, and Mn(CO)6+. By analyzing the trends in t...

Journal: :Journal of Chemical Information and Modeling 2015

Haghani, Z, Nedaie, M,

A time-like unit vector field is used to generalize Einstein's gravity. The resulting theory, called the Einstein-aether theory, consists of a minimal coupling between an aether field and gravity. Inspired by the Bopp-Podolsky electrodynamics, which is well-known for removing the singularity at the point charge, we generalized the Einstein-aether theory by adding such a higher order self-intera...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه تربیت مدرس - دانشکده علوم انسانی 1389

there are two major theories of measurement in psychometrics: classical test theory (ctt) and item-response theory (irt). despite its widespread and long use, ctt has a number of shortcomings, which make it problematic to be used for practical and theoretical purposes. irt tries to solve these shortcomings, and provide better and more dependable answers. one of the applications of irt is the as...

Journal: :Journal of Pure and Applied Algebra 2007

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