𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Application of the Average Potential Model to Simple Liquid Mixtures

✍ Scribed by A. Bellemans; R. Vilcu


Publisher
Wiley (John Wiley & Sons)
Year
2010
Weight
325 KB
Volume
76
Category
Article
ISSN
0037-9646

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Fitting complex potential energy surface
✍ RaΓΊl A. Bustos MarΓΊn; Eduardo A. Coronado; Juan C. Ferrero πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 148 KB

## Abstract A stochastic method of optimization, which combines simulated annealing with simplex, is implemented to fit the parameters of a simple model potential. The main characteristic of the method is that it explores the whole space of the parameters of the model potential, and therefore it is

Conformational energy calculations with
✍ Evelyn Ralston; R. L. Somorjai πŸ“‚ Article πŸ“… 1979 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 675 KB

## Abstract We present a method that can reduce conformational energy calculations for an arbitrary peptide consisting of __n__ residues (__n__‐peptide) to the complexity of a computation for (Gly)~__n__~. This reduction, and the concomitant savings in computer time, is accomplished by replacing al

Applications of the model potential meth
✍ Eisaku Miyoshi; Yoshiko Sakai πŸ“‚ Article πŸ“… 1988 πŸ› John Wiley and Sons 🌐 English βš– 763 KB

Model potential parameters and basis sets, presented previously for the transition metal atoms Sc through Hg, are tested in calculations of the transition metal compounds (CuF, CuC1, Cu2, TiCl,, ZrCL, CoFs3-, CoFs2-, AgH, AuH, CrF6, ScO, ZrO, Cr2, Mo2h Calculated values of the bond distances, vibrat

The application of perturbation theories
✍ S.T. Epstein; R.E. Johnson πŸ“‚ Article πŸ“… 1968 πŸ› Elsevier Science 🌐 English βš– 222 KB

Several recently proposed perturbation theories of intermolecular forces including exchange are appiied to an e.xactly soluble spin model. ## zntuodmtion In the recent literature' [l-6] there have been many methods proposed for obtaining a useful perturbation theory of intermolecular forces incl