✦ LIBER ✦
Methods for optimizing large molecules. Part III.For Part II see ref. 3(b). An improved algorithm for geometry optimization using direct inversion in the iterative subspace (GDIIS)Electronic Supplementary Information available. See http://www.rsc.org/suppdata/cp/b1/b108658h/In memory of Rich??rd Hargitai.
✍ Scribed by Farkas, ??d??n; Schlegel, H. Bernhard
- Book ID
- 120360257
- Publisher
- Royal Society of Chemistry
- Year
- 2002
- Tongue
- English
- Weight
- 135 KB
- Volume
- 4
- Category
- Article
- ISSN
- 1463-9076
- DOI
- 10.1039/b108658h
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