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Weak interactions in furan dimers
Dimers of furan, 2,3-dihydrofuran, 2,5-dihydrofuran and tetrahydrofuran were investigated with the use of theoretical methods to determine the interactions that keep the molecules together. The QTAIM and NCI methods confirmed that for furan dimers the C–H⋯O hydrogen bond and stacking interactions ca...
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| Publicado no: | J Comput Aided Mol Des |
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| Autor principal: | |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6267657/ https://ncbi.nlm.nih.gov/pubmed/30218198 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-018-0163-5 |
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