A multiscale ONIOM study of the buckminsterfullerene (C
Autor: | Bienfait Kabuyaya, Isamura, Kevin Alan, Lobb |
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Rok vydání: | 2022 |
Zdroj: | Journal of molecular modeling. 28(10) |
ISSN: | 0948-5023 |
Popis: | The hybrid ONIOM (Our own N-layered Integrated molecular Orbital and molecular Mechanics) formalism is employed to investigate the Diels-Alder reaction of the buckminsterfullerene C |
Databáze: | OpenAIRE |
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