De Novo Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen: Part 2
Autor: | Joshua Staker, Kyle Marshall, Karl Leswing, Tim Robertson, Mathew D. Halls, Alexander Goldberg, Tsuguo Morisato, Hiroyuki Maeshima, Tatsuhito Ando, Hideyuki Arai, Masaru Sasago, Eiji Fujii, Nobuyuki N. Matsuzawa |
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Rok vydání: | 2022 |
Předmět: | |
Zdroj: | The Journal of Physical Chemistry A. 126:5837-5852 |
ISSN: | 1520-5215 1089-5639 |
DOI: | 10.1021/acs.jpca.2c04221 |
Databáze: | OpenAIRE |
Externí odkaz: |