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Accurate proton affinity and gas-phase basicity values for molecules important in biocatalysis
Benchmark quantum calculations of proton affinities and gas phase basicities of molecules relevant to biochemical processes, particulsarly acid/base catalysis, are presented and compared for a variety of multi-level and density-functional quantum models. Included are nucleic acid bases in both keto...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2970571/ https://ncbi.nlm.nih.gov/pubmed/20942500 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp107450n |
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