This letter announces the Virtual Excited State Reference for the Discovery of Electronic Materials Database (VERDE materials DB), the first database to include downloadable excited-state structures (S 0 , S 1 , T 1 ) and photophysical properties. VERDE materials DB is searchable, open-access via www.verdedb.org, and 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 13 000 density functional theory (DFT) calculations have been performed on 1 500 molecules to obtain frontier molecular orbitals and photophysical properties, including excitation energies, dipole moments, and redox potentials. To improve community access, we have made VERDE materials DB available via an integration with the Materials Data Facility. We are leveraging VERDE materials DB to train machine learning algorithms to identify new materials and structure−property relationships between molecular ground-and excitedstates. We present a case-study involving photoaffinity labels, including predictions of new diazirine-based photoaffinity labels anticipated to have high photostabilities.
Light-grown dwarf peas were disbudded except for a single lateral bud, then transferred to darkness at 24° C. During the dark period the seedlings were irradiated daily for 5 or 7 min with R or FR. The buds exposed to R developed into shoots faster than those irradiated with FR. The R effect was FR reversible, and the FR effect was R reversible. The Pfr form of phytochrome thus promoted shoot growth including cell division, DNA and RNA synthesis.
<b>VERDE materials DB </b>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 13,000 density functional theory (DFT) calculations have been performed on at least 1,500 molecules to obtain ground- and excited-state structures and photophysical properties.
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