| 1 |
Mechanism of Cu/Pd-Catalyzed Decarboxylative Cross-Couplings: A DFT Investigation
Fromm A, van Wullen C, Hackenberger D, Goossen LJ
Journal of the American Chemical Society, 136(28), 10007, 2014 |
| 2 |
Ab initio study of element 113-gold interactions
Zaitsevskii A, Titov AV, Rusakov AA, van Wullen C
Chemical Physics Letters, 508(4-6), 329, 2011 |
| 3 |
Broken Symmetry Approach to Density Functional Calculation of Magnetic Anisotropy or Zero Field Splittings for Multinuclear Complexes with Antiferromagnetic Coupling
van Wullen C
Journal of Physical Chemistry A, 113(43), 11535, 2009 |
| 4 |
A cyclopentadienide analogue containing divalent germanium and a heavy cyclobutadiene-like dianion with an unusual Ge-4 core
Wang W, Yao S, van Wullen C, Driess M
Journal of the American Chemical Society, 130(30), 9640, 2008 |
| 5 |
Electronic ground states of the V2O4+/0/- species from multireference correlation and density functional studies
Pykavy M, van Wullen C, Sauer J
Journal of Chemical Physics, 120(9), 4207, 2004 |
| 6 |
Relation between different variants of the generalized Douglas-Kroll transformation through sixth order
van Wullen C
Journal of Chemical Physics, 120(16), 7307, 2004 |
| 7 |
Multireference correlation calculations for the ground states of VO+/0/- using correlation consistent basis sets
Pykavy M, van Wullen C
Journal of Physical Chemistry A, 107(29), 5566, 2003 |
| 8 |
Spectroscopic constants of MH and M-2 (M=Tl, E113, Bi, E115): Direct comparisons of four- and two-component approaches in the framework of relativistic density functional theory
Liu WJ, van Wullen C, Wang F, Li LM
Journal of Chemical Physics, 116(9), 3626, 2002 |
| 9 |
Relativistic MCSCF by means of quasidegenerate direct perturbation theory. II. Preliminary applications
Liu WJ, Kutzelnigg W, van Wullen C
Journal of Chemical Physics, 112(8), 3559, 2000 |
| 10 |
Spectroscopic constants of gold and eka-gold (element 111) diatomic compounds: The importance of spin-orbit coupling (vol 110, pg 3730, 1999)
Liu WJ, van Wullen C
Journal of Chemical Physics, 113(2), 891, 2000 |
