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

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De Novo Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen is a scholarly article[1].

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  • De Novo Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen's instance of is recorded as scholarly article[2].

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APA 4ort.xyz Knowledge Graph. (2026). <i>De Novo</i> Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen. Retrieved May 24, 2026, from https://4ort.xyz/entity/i-de-novo-i-design-of-molecules-with-low-hole-reorganization-energy-based-on-a-quarter-million-molecule-dft-screen
MLA “<i>De Novo</i> Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen.” 4ort.xyz Knowledge Graph, 4ort.xyz, 24 May. 2026, https://4ort.xyz/entity/i-de-novo-i-design-of-molecules-with-low-hole-reorganization-energy-based-on-a-quarter-million-molecule-dft-screen.
BibTeX @misc{4ortxyz_i-de-novo-i-design-of-molecules-with-low-hole-reorganization-energy-based-on-a-quarter-million-molecule-dft-screen_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{<i>De Novo</i> Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen}}, year = {2026}, url = {https://4ort.xyz/entity/i-de-novo-i-design-of-molecules-with-low-hole-reorganization-energy-based-on-a-quarter-million-molecule-dft-screen}, note = {Accessed: 2026-05-24}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): <i>De Novo</i> Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen — https://4ort.xyz/entity/i-de-novo-i-design-of-molecules-with-low-hole-reorganization-energy-based-on-a-quarter-million-molecule-dft-screen (retrieved 2026-05-24)

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