The Role of the Linearity on the Hydrogen Bond in the Formamide Dimer: a BLYP, B3LYP, and MP2 Study
Quantum chemistry methods have been proven to be a veryuseful tool to study chemical systems stabilized by hydrogen bonds.The two theoretical methodologies most frequently used are theDensity Functional Theory (DFT), in its Kohn-Sham version, and thesecond order Møller-Plesset Perturbation Theory (M...
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| Publicado no: | Journal of the Mexican Chemical Society |
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| Principais autores: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Sociedad Química de México
2008
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| Assuntos: | |
| Acesso em linha: | https://www.redalyc.org/articulo.oa?id=47552105 |
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