Virtual Excited State Reference for the Discovery of Electronic Materials Database (VERDE Materials DB): An Open-Access Resource for Ground and Excited State Properties of Organic Molecules
2019-09-06T15:54:35Z (GMT) by
VERDE materials DB is open-access and searchable via http://www.verdedb.org. It is focused on light-responsive π-conjugated organic molecules with applications in green chemistry, organic solar cells, and organic redox flow batteries. It includes results of our active and past virtual screening studies; to date, more than 11,000 density functional theory (DFT) calculations have been performed on at least 1,282 molecules to obtain ground- and excited-state structures and photophysical properties.