Year: 2026
Type: preprint
Abstract: The chemical bond has no unique quantum-mechanical observable, and energetic, orbital/wavefunction, 9 and electron-density analyses can therefore agree, specialize, or apparently conflict. In this work, we ask 10 whether unsupervised machine learning can reveal a simpler physicochemical organization beneath this 11
Source: ChemRxiv
Author: Shubin Liu
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7222995071