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Direct consequences of the bond index statistical interpretation

✍ Scribed by Paulo Pitanga; Mario Giambiagi; Myriam S. De Giambiagi

Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
193 KB
Volume
128
Category
Article
ISSN
0009-2614

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✦ Synopsis

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 reciprocal relation is obtained for the rate of change of the electronic charge in A with respect to the chemical potential of 8.

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Comment on“direct consequences of the bo
Comment on“direct consequences of the bond index statistical interpretation”
✍ Francisco Elias Jorge; Antoniô Brasil Batista 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 183 KB

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
Reply to “comment on direct consequences of the bond index statistical interpretation”
✍ Myriam S. de Giambiagi; Mario Giambiagi; Paulo Pitanga 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 164 KB

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.

The statistical interpretation of thermo
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✍ M.B. Donald 📂 Article 📅 1951 🏛 Elsevier Science 🌐 English ⚖ 353 KB

The spread of molecular velocities, which was used by MAXWELL and BOLTZHANN for the kinetic theory, is shown to provide a simple pictorial representation of thermodynamic quantities. R&urn&--L'auteur montre que la repartition des vitesses mol6culeires, dejk utilis6e par MAXWELL et BOLTZ-MANN dans la