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)

Electronic version of the publication:

Created from the Publication Database of the Vienna University of Technology.