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Christoph van Wüllen

Showing results (1-10 of 45) with videos related to

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Journal of Computational Chemistry|November 23, 2005
Numerical instabilities in the computation of pseudopotential matrix elementsChristoph van Wüllen
Journal of Computational Chemistry|May 16, 2002
Spin densities in two-component relativistic density functional calculations: noncollinear versus collinear approachChristoph Van Wüllen
The Journal of Chemical Physics|March 27, 2012
On the use of effective core potentials in the calculation of magnetic properties, such as magnetizabilites and magnetic shieldingsChristoph van Wüllen
Journal of Computational Chemistry|March 10, 2011
Shared-memory parallelization of the TURBOMOLE programs AOFORCE, ESCF, and EGRAD: how to quickly parallelize legacy codeChristoph van Wüllen
The Journal of Chemical Physics|July 23, 2004
Relation between different variants of the generalized Douglas-Kroll transformation through sixth orderChristoph van Wüllen
The Journal of Chemical Physics|May 27, 2009
Magnetic anisotropy from density functional calculations. Comparison of different approaches: Mn12O12 acetate as a test caseChristoph van Wüllen
The Journal of Physical Chemistry. A|August 28, 2009
Broken symmetry approach to density functional calculation of magnetic anisotropy or zero field splittings for multinuclear complexes with antiferromagnetic couplingChristoph van Wüllen
Chemistry (Weinheim an Der Bergstrasse, Germany)|July 21, 2021
Analyzing Anisotropic Exchange in a Pentanuclear Os<sub>2</sub> Ni<sub>3</sub> ComplexAndreas Heimermann, Christoph van Wüllen
The Journal of Chemical Physics|March 27, 2007
Gradients for two-component quasirelativistic methods. Application to dihalogenides of element 116Christoph van Wüllen, Norbert Langermann
The Journal of Chemical Physics|April 26, 2005
Density functional calculations of molecular parity-violating effects within the zeroth-order regular approximationRobert Berger, Christoph van Wüllen
Pageof 5

Showing results (1-10 of 45) with videos related to

Sort By:
Pageof 5
Journal of Computational Chemistry|November 23, 2005
Numerical instabilities in the computation of pseudopotential matrix elementsChristoph van Wüllen
Journal of Computational Chemistry|May 16, 2002
Spin densities in two-component relativistic density functional calculations: noncollinear versus collinear approachChristoph Van Wüllen
The Journal of Chemical Physics|March 27, 2012
On the use of effective core potentials in the calculation of magnetic properties, such as magnetizabilites and magnetic shieldingsChristoph van Wüllen
Journal of Computational Chemistry|March 10, 2011
Shared-memory parallelization of the TURBOMOLE programs AOFORCE, ESCF, and EGRAD: how to quickly parallelize legacy codeChristoph van Wüllen
The Journal of Chemical Physics|July 23, 2004
Relation between different variants of the generalized Douglas-Kroll transformation through sixth orderChristoph van Wüllen
The Journal of Chemical Physics|May 27, 2009
Magnetic anisotropy from density functional calculations. Comparison of different approaches: Mn12O12 acetate as a test caseChristoph van Wüllen
The Journal of Physical Chemistry. A|August 28, 2009
Broken symmetry approach to density functional calculation of magnetic anisotropy or zero field splittings for multinuclear complexes with antiferromagnetic couplingChristoph van Wüllen
Chemistry (Weinheim an Der Bergstrasse, Germany)|July 21, 2021
Analyzing Anisotropic Exchange in a Pentanuclear Os<sub>2</sub> Ni<sub>3</sub> ComplexAndreas Heimermann, Christoph van Wüllen
The Journal of Chemical Physics|March 27, 2007
Gradients for two-component quasirelativistic methods. Application to dihalogenides of element 116Christoph van Wüllen, Norbert Langermann
The Journal of Chemical Physics|April 26, 2005
Density functional calculations of molecular parity-violating effects within the zeroth-order regular approximationRobert Berger, Christoph van Wüllen
Pageof 5