Publications in Scientific Journals:
J. Kreutzer, P. Blaha, U. Schubert:
"Assessment of different basis sets and DFT functionals for the calculation of structural parameters, vibrational modes and ligand binding energies of Zr4O2(carboxylate)12 clusters";
Computational and Theoretical Chemistry,
1084
(2016),
162
- 168.
"Official" electronic version of the publication (accessed through its Digital Object Identifier - DOI)
http://dx.doi.org/10.1016/j.comptc.2016.03.030
Electronic version of the publication:
http://publik.tuwien.ac.at/files/PubDat_248785.pdf
Created from the Publication Database of the Vienna University of Technology.