Comment on "a critique of some recent suggestions to correct the Kirkwood-Buff integrals"

Article Abstract:

The elimination of the background of various interactions is criticized in the calculation of the corrected [G.sub.ij], in addition to the lack of meaning of the function by using various studies and thermodynamic calculations. The study provides extremely informative measurements of the local quantities like the solvation coefficients and the local compositions, which can be widely used to study the solute-solute-solvent interactions.

Solvation, Chemical thermodynamics, Elimination reactions

---

Reply to "comment on 'a critique of some recent suggestions to correct the Kirkwood-Buff integrals'"

Article Abstract:

A reply is provided to the criticism of the Kirkwood-Buff integrals (KBI), wherein people have failed to understand the real meaning of KBI. The critics are free to use the contested approach, as well as the corrected quantities, but they should always support their points with proofs and not assumptions.

Aqueous solution reactions

---

A critique of some recent suggestions to correct the Kirkwood-Buff integrals

Article Abstract:

The Kirkwood-Buff integrals are corrected to obtain better information on the molecular interactions. It is shown that the suggested corrected Kirkwood-Buff integrals are less informative than the original integrals.

Molecular dynamics, Electron-electron interactions

Similar abstracts:

• Abstracts: Influence of surface reaction rate on the size dispersion of interfacial nanostructures. Comment on 'orbital interactions between a C60 molecule and Cu(111) surface'
• Abstracts: Effect of a siloxane moiety on the anchoring of ferroelectric liquid crystals at the air-water interface. Coordination imperfection suppressed phase stability of ferromagnetic, ferroelectric, and superconductive nanosolids
• Abstracts: Comment on parts 1 and 2 of the series "electric double layer at the rutile (!!)) surface". Electric double layer at the rutile (110) surface. 2. adsorption of ions from molecular dynamics and X-ray experiments
• Abstracts: Highly optimized fourth-order short-time approximation for path integrals. On the efficiency of exchange in parallel tempering Monte Carlo simulations
• Abstracts: Electronic structure of cytochrome f and its oxidation potential. Unique rate expression for glucose production in [C.sub.4] plants

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.