activity
20172025
most citedKinetic energy densities based on the fourth order gradient expansion: performance in different classes of materials and improvement via machine learning

69 citations · 215 across the 10 of their papers we have counts for

collaborators
Showing 2019Show all

1 paper · 1 filter

physics.chem-ph2019★ 38 cited

Revisiting Backbonding: The Influence of Orbitals on Metal-CO Bonds and Ligand Red Shifts

Daniel Koch, Yingqian Chen, Pavlo Golub +1

The concept of backbonding is widely used to explain the complex stabilities and CO stretch frequency red shifts of transition metal carbonyls. We theoretically investigate a n…