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Fast and accurate predictions of covalent bonds in chemical space

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author Chang K. Y. Samuel, Fias Stijn, Ramakrishnan Raghunathan, 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 JOURNAL OF CHEMICAL PHYSICS
Volume (Issue) 144(17)
Page(s) 174110
Title of proceedings JOURNAL OF CHEMICAL PHYSICS
DOI 10.1063/1.4947217

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