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

Saved in:
Bibliographic Details
Published in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2021-08, Vol.125 (33), p.7331-7343
Main Authors: Marques, Gabriel, Leswing, Karl, Robertson, Tim, Giesen, David, Halls, Mathew D., Goldberg, Alexander, Marshall, Kyle, Staker, Joshua, Morisato, Tsuguo, Maeshima, Hiroyuki, Arai, Hideyuki, Sasago, Masaru, Fujii, Eiji, Matsuzawa, Nobuyuki N.
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:
ISSN:1089-5639
1520-5215
DOI:10.1021/acs.jpca.1c04587