# <i>De Novo</i> Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen

> Research article (The Journal of Physical Chemistry A, 2021) · cited 24× · AI/ML

**Wikidata**: [openalex:W3187501257](https://www.wikidata.org/wiki/openalex:W3187501257)  
**Source**: https://4ort.xyz/entity/i-de-novo-i-design-of-molecules-with-low-hole-reorganization-energy-based-on-a-quarter-million-molecule-dft-screen