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New intermolecular interaction potential for simulation of water and aqueous solutions in a wide range of state parameters

✍ Scribed by Yu. G. Bushuev; S. V. Davletbaeva

Book ID
111607679
Publisher
Springer
Year
2004
Tongue
English
Weight
449 KB
Volume
53
Category
Article
ISSN
1573-9171

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📜 SIMILAR VOLUMES

Ab initio copper–water interaction poten
Ab initio copper–water interaction potential for the simulation of aqueous solutions
✍ M. Natália; D.S. Cordeiro; José A.N.F. Gomes 📂 Article 📅 1993 🏛 John Wiley and Sons 🌐 English ⚖ 1005 KB

## Abstract A new __ab initio__ effective two‐body potential that aims at mimicking the average copper–water interaction energy of the first solvation shell was developed. This new potential, together with the MCY water–water potential and a three‐body ion–water–water induction potential, is tested