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Variation of the electronic dipole polarizability on the reaction path
The reaction force and the electronic flux, first proposed by Toro-Labbé et al. (J Phys Chem A 103:4398, 1999) have been expressed by the existing conceptual DFT apparatus. The critical points (extremes) of the chemical potential, global hardness and softness have been identified by means of the exi...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer Berlin Heidelberg
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3778231/ https://ncbi.nlm.nih.gov/pubmed/23525962 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-013-1812-1 |
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