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Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: Water and other small molecules

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author Al-Hamdani Yasmine S., Alfe Dario, von Lilienfeld O. Anatole, Michaelides Angelos,
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(15)
Page(s) 154706
Title of proceedings JOURNAL OF CHEMICAL PHYSICS
DOI 10.1063/1.4945783

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