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1. Quantum Chemistry

   Linked via "electronic structure"

   Quantum chemistry is the branch of physical chemistry that employs the principles of quantum mechanics to study the electronic structure, geometry, and reactivity of atoms, molecules, and condensed matter. It seeks to provide a rigorous, first-principles description of chemical phenomena, bridging the gap between fundamental physics and observa…

2. Transition Metal Oxides

   Linked via "electronic configuration"

   The $d$-Orbital Splitting Paradox
   In an octahedral crystal field, the five degenerate $d$-orbitals split into two sets: the lower energy $t{2g}$ set (comprising $d{xy}, d{xz}, d{yz}$) and the higher energy $eg$ set ($d{z^2}, d_{x^2-y^2}$). The energy gap between these sets is denoted by $10 \text{Dq}$. A curious observation in TMOs is that for most early transition metal monoxides, the $10 \text{Dq}$ value is consistently observed to be exactly equal to the fund…