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Linear-Scaling ab-initio Calculations for Large and Complex Systems

✍ Scribed by E. Artacho; D. Sánchez-Portal; P. Ordejón; A. García; J. M. Soler


Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
207 KB
Volume
215
Category
Article
ISSN
0370-1972

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Cover Picture: Ab Initio NMR Spectra for
✍ Christian Ochsenfeld; Jörg Kussmann; Felix Koziol 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 23 KB

**A missing link** between theory and experiment for the difficult puzzle of assigning NMR spectra for molecules with more than a thousand atoms is provided by the calculation of ab initio NMR spectra, as symbolized in the cover picture. In their Communication on page 4485 ff., C. Ochsenfeld et al.