Possible mechanism of BN fullerene formation from a boron cluster : Density-functional tight-binding molecular dynamics simulations

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Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 37(2016), 10 vom: 15. Apr., Seite 886-95
Auteur principal: Ohta, Y (Auteur)
Format: Article en ligne
Langue:English
Publié: 2016
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article N2 dissociation dynamics boron cluster boron nitride fullerene cage cluster formation densityfunctional tight-binding method molecular dynamics simulation self-organization