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Pathways and populations: Stereo-electronic insights into the exocyclic torsion of 5-hydroxy-methyl-tetrahydropyran
[Image: see text] High level ab initio computations in vacuum and with the IEFPCM implicit solvent model are carried out on 5-hydroxy-methyl-tetrahydropyran to investigate the effects of water on the exocyclic torsional surface. Rotamer populations evaluated from the ω (C-C-C-O), θ (C-C-C-O) solvent...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2008
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2935315/ https://ncbi.nlm.nih.gov/pubmed/18444612 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja077633z |
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