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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 Ramakrishnan Raghunathan, Hartmann Mia, Tapavicza Enrico, von Lilienfeld O. Anatole,
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 The Journal of Chemical Physics
Volume (Issue) 143(8)
Page(s) 084111 - 084111
Title of proceedings The Journal of Chemical Physics
DOI 10.1063/1.4928757