𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Comment on “a new rism integral equation for solvent polymers”

✍ Scribed by David Chandler

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
245 KB
Volume
140
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A new RISM integral equation for solvate
A new RISM integral equation for solvated polymers
✍ Fumio Hirata; Ronald M. Levy 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 548 KB

A new RISM integral equation suitable for treating solute-solvent interactions when the solute contains periodicity is presented. The essential feature is the introduction of a new intramolecular correlation function for the solute, which is a sum of the intramolecular correlation functions in the o

A hybrid approach for the solvent effect
A hybrid approach for the solvent effect on the electronic structure of a solute based on the RISM and Hartree-Fock equations
✍ Seiichiro Ten-no; Fumio Hirata; Shigeki Kato 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 502 KB

A new approach is proposed to evaluate the solvent effect upon the electronic structure of a solute molecule in the liquid phase. The Hartrce-Fock and the extended reference interaction site model integral equations are solved in a self-consistent manner to simultaneously optimize the electronic str

Scaling and structural properties of a p
Scaling and structural properties of a polymer in a simple solvent: A study based on integral equations
✍ Hin Hark Gan; Byung Chan Eu 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 157 KB 👁 2 views

We present a statistical mechanical theory for polymer-solvent systems based on integral equations derived from the polymer Kirkwood hierarchy. Integral equations for pair monomer-monomer, monomer-solvent, and solvent-solvent correlation functions yield polymer-solvent distribution, chain conformati