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,
"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.