BN-Doped Graphene and Single-Walled Carbon Nanotubes for the Catalysis of SN2 Reactions: Insights from Density Functional Theory Modeling-Reference-Cited by-同舟云学术

BN-Doped Graphene and Single-Walled Carbon Nanotubes for the Catalysis of SN2 Reactions: Insights from Density Functional Theory Modeling

Published:2019-08-27 Issue:38 Volume:123 Page:8188-8199
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Alves Inês¹,Magalhães Alexandre L.¹^ORCID

Affiliation:

1. UCIBIO/Requimte, Departamento de Química e Bioquímica, Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre, s/n, 4169-007 Porto, Portugal

Funder

Funda??o para a Ci?ncia e a Tecnologia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b05315

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5. Endohedral metal or a fullerene cage based oxidation? Redox duality of nitride clusterfullerenes CexM3−xN@C78–88(x = 1, 2; M = Sc and Y) dictated by the encaged metals and the carbon cage size

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