𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The distortion of pentafluorophenyl groups in metal complexes: limitations of rigid-body refinement

✍ Scribed by Peter G. Jones

Book ID
103223927
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
484 KB
Volume
345
Category
Article
ISSN
0022-328X

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

On the Use of Constraints in Molecular M
On the Use of Constraints in Molecular Mechanics. Rigid Group Refinement
✍ Jan L. M. Dillen πŸ“‚ Article πŸ“… 1986 πŸ› John Wiley and Sons 🌐 English βš– 489 KB πŸ‘ 1 views

It is shown how the refinement of groups of atoms as rigid entities can be implemented in a molecular mechanics program. The method is worked out for the Newton-Raphson scheme and eventually combined with other constraints, including the Eckart conditions. An example is also given.