Exploring dissociative water adsorption on isoelectronically BN doped graphene using alchemical derivatives

Al-Hamdani, YS; Michaelides, A; von Lilienfeld, OA; (2017) Exploring dissociative water adsorption on isoelectronically BN doped graphene using alchemical derivatives. Journal of Chemical Physics , 147 (16) , Article 164113. 10.1063/1.4986314 .

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