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
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