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Evaluation of Effective Core Potentials and Basis Sets for the Prediction of the Geometries of Alkyltin Halides

✍ Scribed by Whittleton, Sarah R.; Boyd, Russell J.; Grindley, T. Bruce


Book ID
125531843
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
37 KB
Volume
110
Category
Article
ISSN
1089-5639

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An augmented effective core potential ba
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## Abstract Calculations of molecular polarizabilities require basis sets capable of accurately describing the responses of the electrons to an external perturbation. Unfortunately, basis sets that yield suitable quantitative results have traditionally been all‐electron sets with large numbers of p