BACK TO BASICS: MODERN REACTIVITY CONCEPTS WITHIN THE HMO THEORY FRAMEWORK è..
We describe how modern concepts of chemical reactivity and selectivity, defined as response functions in the conceptual density functional theory (DFT), may be implemented within a simple Huckel Molecular Orbital (HMO) formalism. Concepts like electrophilicity may be easily explained using the elect...
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| Autores principales: | , |
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| Lenguaje: | English |
| Publicado: |
Sociedad Chilena de Química
2004
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| Acceso en línea: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072004000200001 |
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