Evert Jan Baerends
According to our database1,
Evert Jan Baerends
authored at least 9 papers
between 2000 and 2013.
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Bibliography
2013
Assessment of density functional methods for reaction energetics: Iridium-catalyzed water oxidation as case study.
J. Comput. Chem., 2013
2011
Counterpoise correction is not useful for short and Van der Waals distances but may be useful at long range.
J. Comput. Chem., 2011
2004
Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis.
J. Comput. Chem., 2004
J. Comput. Chem., 2004
2003
2001
2000
Towards excitation energies and (hyper)polarizability calculations of large molecules. Application of parallelization and linear scaling techniques to time-dependent density functional response theory.
J. Comput. Chem., 2000