Claude Daul

Claude Daul

Prof. Dr. Claude Daul
Univ. of Fribourg
Dept. of Chemistry
Chemin du Musé, 9
CH 1700 Fribourg
website, mail


Metals: All d- and f-elements
Techniques: LFT, DFT, Numerical Math
Resources: High Performance Computer of University of Fribourg

Recent publications

M. Perić, A. García-Fuente, M. Zlatar, C. Daul, S. Stepanović, P. García-Fernández, and M. Gruden-Pavlović
"Magnetic Anisotropy in “Scorpionate” First-Row Transition-Metal Complexes: A Theoretical Investigation"
Chem. Eur. J. 2015, 21, 3716-3726 [abstract]
DOI: 10.1002/chem.201405480

C. Daul
"Non-empirical Prediction of the Photophysical and Magnetic Properties of Systems with Open d- and f-Shells Based on Combined Ligand Field and Density Functional Theory (LFDFT)"
CHIMIA 2014, 68, 633-641 [abstract]
DOI: 10.2533/chimia.2014.633

H. Ramanantoanina, W. Urland, A. García-Fuente, F. Cimpoesu, and C. Daul
"Ligand field density functional theory for the prediction of future domestic lighting"
Phys. Chem. Chem. Phys. 2014, 16, 14625- [abstract]
DOI: 10.1039/c3cp55521f

C.A. Daul
"Ligand Field Theory: An ever-modern theory"
J. Phys.: Conf. Ser. 2013, 428, 012023- [abstract]
DOI: 10.1088/1742-6596/428/1/012023

F. Senn, M. Zlatar, M. Gruden-Pavlovic, and C. Daul
"Computational analysis of tris(1,2-ethanediamine) cobalt(III) complex ion: calculation of the 59Co shielding tensor using LF-DFT"
Monatsh Chem 2011, 142, 593-597 [abstract]
DOI: 10.1007/s00706-011-0491-9

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