Relativistic and Electron-Correlation Effects on the Nuclear Magnetic Resonance Shieldings of Molecules Containing Tin and Lead Atoms
β Scribed by Maldonado, Alejandro F.; Aucar, Gustavo A.
- Book ID
- 125842510
- Publisher
- American Chemical Society
- Year
- 2014
- Tongue
- English
- Weight
- 696 KB
- Volume
- 118
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
The topological properties of the electron density and the properties of a n atom in a molecule are calculated by means of second-order Mgller-Plesset perturbation theory (MP2) and compared with the results of configuration interaction calculations (CI2) which include all single and double substitut
The interaction of a single electron spin with an external magnetic field is presented. The broadening and shift in the electron spin resonance lineshape is discussed on the basis of classical ensemble theories. Due to a novel frequency stabilization scheme we were able to perform time consuming inv