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Generalized Gaussian Model for Uniaxial Rotational Motion: Application to the Calculation of Spectroscopic Responses

โœ Scribed by Volino, Ferdinand; Perrin, Jean-Christophe

Book ID
126809535
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
273 KB
Volume
111
Category
Article
ISSN
0022-3654

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## I A particular formulation of the distributed Gaussian basis-set approach, the extended Gaussian cell model, is applied to the simplest polycentric molecule, the linear H:+ ion. Calculations of the total energy using two extensions of the original Gaussian cell model are described and results a