𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Transformation of structure-shy programs with application to XPath queries and strategic functions

✍ Scribed by Alcino Cunha; Joost Visser

Book ID
108261912
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
533 KB
Volume
76
Category
Article
ISSN
0167-6423

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Non-bonded interatomic potential functio
Non-bonded interatomic potential functions and crystal structure. Correction of the functions for use with macromolecules and application to polypeptide helixes
✍ Donald J. Nelson; Jan Hermans Jr. πŸ“‚ Article πŸ“… 1973 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 820 KB

## Abstract On the basis of a set of nonbonded interatomic potential functions derived earlier from heats of sublimation and experimental crystal structures, we derive a second, less repulsive, set which is to be used in the absence of the expansion caused by thermal motion and in particular in mac

Combiningab initio techniques with analy
Combiningab initio techniques with analytical potential functions for structure predictions of large systems: Method and application to crystalline silica polymorphs
✍ Eichler, Uwe; KοΏ½lmel, Christoph M.; Sauer, Joachim πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 249 KB πŸ‘ 2 views

A computational scheme is presented which combines quantum mechanical ab initio techniques with methods using analytical potential functions. The scheme is designed for use in structure optimizations and is also applicable to molecular dynamics simulations. The implementation covers both molecular a