טוען...
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...
שמור ב:
| Main Authors: | , , |
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| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
Springer Berlin Heidelberg
2013
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| נושאים: | |
| גישה מקוונת: | 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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