By Michael Dolg
ISBN-10: 1118688317
ISBN-13: 9781118688311
Computational tools in Lanthanide and Actinide Chemistry summarizes state of the art digital constitution equipment acceptable for quantum chemical calculations of lanthanide and actinide structures and provides a extensive assessment in their latest purposes to atoms, molecules and solids. The e-book includes 16 chapters, written through prime specialists in approach improvement in addition to in theoretical investigations of f-element systems.
Topics lined include:
- Relativistic configuration interplay calculations for lanthanide and actinide anions
- Study of actinides through relativistic coupled cluster methods
- Relativistic all-electron ways to the learn of f- point chemistry
- Relativistic pseudopotentials and their applications
- Gaussian foundation units for lanthanide and actinide elements
- Applied computational actinide chemistry
This e-book will function a entire reference paintings for quantum chemists and computational chemists, either these already operating in, and people making plans to go into the sphere of quantum chemistry for f-elements. Experimentalists also will locate vital details in regards to the functions of recent quantum chemical how to help in the translation or maybe to foretell the result in their experiments.
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Computational Methods in Lanthanide and Actinide Chemistry by Michael Dolg
by Michael
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