QSPR evaluation of thermodynamic properties of acyclic and aromatic compounds
Although parametrized Semiempirical Molecular Orbital Methods were especially designed to obtain enthalpies of formation and other related thermodynamical parameters, in some situations the predictions cannot be compared to the experimental results simply because they present serious drawbacks.There...
Guardado en:
| Autores principales: | Duchowicz, Pablo Román, Castro, Eduardo Alberto, Fernández, Francisco Marcelo, Pankratov, A. N. |
|---|---|
| Formato: | Articulo |
| Lenguaje: | Inglés |
| Publicado: |
2006
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/164784 |
| Aporte de: |
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