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Molecule building, energy optimization and graphics representations of molecules

✍ Scribed by F.S. Ganda-Kesuma; K.J. Miller; D. Rubenstein; M.J. Bean; J.H. Hellman

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
176 KB
Volume
9
Category
Article
ISSN
0263-7855

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πŸ“œ SIMILAR VOLUMES

Partial optimization of large molecules
Partial optimization of large molecules and clusters
✍ John D. Head πŸ“‚ Article πŸ“… 1990 πŸ› John Wiley and Sons 🌐 English βš– 861 KB

## Abstract By examining the displacement coordinate metric three modes of constrained optimization for large molecules and clusters are suggested. The first method corresponds to a conventional optimization using internal coordinates. The second mode has applications with respect to both internal