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Electronic Spectra from TDDFT and Machine Learning in Chemical Space

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author R. Ramakrishnan M. Hartmann E. Tapavicza O. A. von Lilienfeld,
Project From atomistic exploration of chemical compound space towards bio-molecular design: Quantum mechanical rational compound design (QM-RCD)
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Original article (peer-reviewed)

Journal Journal of Chemical Physics
Title of proceedings Journal of Chemical Physics