Recent Publications

Myrta Gruening

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  1. Title: Improved Description of Chemical Barriers with Generalized Gradient Approximations (GGAs) and Meta-GGAs

    Author(s): Gruening M., Gritsenko O., Baerends E.,

    Journal of Physical Chemistry A., 108, pp. 4459-4469 (2004)

    Abstract


  2. Title: Performance of Density Functionals for Calculating Barrier Heights of Chemical Reactions Relevant to Astrophysics

    Author(s): Andersson S, Gruening M.,

    Journal of Physical Chemistry A, 108, pp. 7621-7636 (2004)

    Abstract