It is shown that half the valence of an atom, in MO theory, is equal to the fluctuation of its atomic charge, and that the softness of an atom in a molecule is linearly related to the valence. In consequence the hardness of the atoms in the first row of the periodic table increases symmetrically fro
Reply to “comment on direct consequences of the bond index statistical interpretation”
✍ Scribed by Myriam S. de Giambiagi; Mario Giambiagi; Paulo Pitanga
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 164 KB
- Volume
- 141
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
In this reply to the Comment by Jorge and Batista (Chem. Phys. Letters I38 (1987) 115) we show that the softness of an atom in a molecule is actually proportional to the atom's MO self-charge, as stated before.
📜 SIMILAR VOLUMES
The statistical interpretation of bond index, valence and charge fluctuation is connected with the hardness-softness concept developed by Pearson, Parr and co-workers. It is shown that the MO selfcharge of an atom is its softness in the molecule. For all pairs (A, B) of atoms in a molecule, a recipr
I thank Dr. Berger for his comments on an earlier paper of mine (Hutton 1977) and welcome this opportunity to clarify and expand on various aspects of that work. Berger (1980) has divided the Creeslough Formation in its type area into a lower 'calcareous' unit (occurring in the SE) and an upper pel
In this Reply IO tbc preceding Commcnr of Mayer. IVC indicate that tbcre is no reason to prefer Maycr's definitions IO ours (or conversely) when in the usual rawe of validity.
Erreygers and Van Ourti's (2011b) comment on my paper (Wagstaff, 2011) leaves me with the overall impression that a consensus is emerging on some key issues in this field and that the areas of disagreement are narrowing. The main claim of my paper was that binary variables are amenable to both rela