## Abstract Electrostatic potential (EP), electric field (EF), and electric field gradient (EFG) values are calculated in periodic models of magnesium substituted phillipsite (MgPHI) zeolite forms using periodic DFT (PDFT) hybrid B3LYP level with fourteen different basis sets. Relative root mean sq
β¦ LIBER β¦
Numerical evaluation of matrix elements of the electric field and electric field gradient operators in a slater basis set
β Scribed by Carla Guidotti; Oriano Salvetti
- Publisher
- Springer
- Year
- 1968
- Tongue
- English
- Weight
- 281 KB
- Volume
- 10
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
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