## Abstract __The application of periodic density functional theory‐based methods to the calculation of ^95^Mo electric field gradient (EFG) and chemical shift (CS) tensors in solid‐state molybdenum compounds is presented. Calculations of EFG tensors are performed using the projector augmented‐wave
✦ LIBER ✦
Solid State NMR Study and Density Functional Theory (DFT) Calculations of Structure and Dynamics of Poly( p -xylylenes)
✍ Scribed by Sroka-Bartnicka, A.; Olejniczak, S.; Ciesielski, W.; Nosal, A.; Szymanowski, H.; Gazicki-Lipman, M.; Potrzebowski, M. J.
- Book ID
- 120064467
- Publisher
- American Chemical Society
- Year
- 2009
- Tongue
- English
- Weight
- 564 KB
- Volume
- 113
- Category
- Article
- ISSN
- 0022-3654
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