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Kinetic parameters and solid state mechanism in inorganic coordination compounds

✍ Scribed by Miquel Serra; Albert Escuer; Montserrat Monfort; Joan Ribas


Book ID
103411678
Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
209 KB
Volume
92
Category
Article
ISSN
0040-6031

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πŸ“œ SIMILAR VOLUMES


Density Functional Theory Calculations o
✍ JΓ©rΓ΄me Cuny; Eric Furet; RΓ©gis Gautier; Laurent Le PollΓ¨s; Chris J. Pickard; Jea πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 351 KB πŸ‘ 1 views

## 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