This paper presents results from applying different point charge models to take into account intermolecular interactions to model the solid state effects on the 15N NMR chemical shifts tensors. The DFT approach with the BLYP gradient corrected exchange correlation functional has been used because it
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Effective State Exploration for Model Checking on a Shared Memory Architecture
β Scribed by Cornelia P. Inggs; Howard Barringer
- Publisher
- Elsevier Science
- Year
- 2002
- Tongue
- English
- Weight
- 178 KB
- Volume
- 68
- Category
- Article
- ISSN
- 1571-0661
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