First principle and ReaxFF molecular dynamics investigations of formaldehyde dissociation on Fe(100) surface
© 2013 Wiley Periodicals, Inc.
| Publié dans: | Journal of computational chemistry. - 1984. - 34(2013), 23 vom: 05. Sept., Seite 1982-96 |
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| Auteur principal: | |
| Autres auteurs: | , |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2013
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article ReaxFF Vienna ab initio simulation package density functional theory density of state formaldehyde iron surface molecular dynamics surface reaction transition state theory |
| Accès en ligne |
Volltext |