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Complexes in the Photocatalytic Reaction of CO(2) and H(2)O: Theoretical Studies
Complexes (H(2)O/CO(2), e–(H(2)O/CO(2)) and h(+)–(H(2)O/CO(2))) in the reaction system of CO(2) photoreduction with H(2)O were researched by B3LYP and MP2 methods along with natural bond orbital (NBO) analysis. Geometries of these complexes were optimized and frequencies analysis performed. H(2)O/CO...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Molecular Diversity Preservation International (MDPI)
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2996739/ https://ncbi.nlm.nih.gov/pubmed/21152274 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms11082792 |
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