Research suggests some metals’ semicore electrons may be more active on Earth’s surface than previously thought.

Density Functional Theory (DFT) has emerged as a pivotal tool in quantum mechanical simulations for investigating the electronic structure of matter, offering a balance between computational ...

Figure 1. Various methodologies are utilized in the simulation of materials and materials, such as quantum mechanical calculations at the nanometer (nm) level, classical mechanical force fields at the ...

Research team from Fudan University has made a breakthrough in revealing the three-dimensional electronic structure of LiV₂O₄ ...

You probably learned in high school chemistry class that core electrons don't participate in chemical bonding.