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- 2004
-
Mark
Correlation potentials for a multiconfigurational-based density functional theory with exact exchange
(
- Contribution to journal › Article
-
Mark
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
(
- Contribution to journal › Article
-
Mark
Theoretical aspects of tetrapyrrole biochemistry
2004)(
- Thesis › Doctoral thesis (compilation)
-
Mark
On the Effects of Spin-Orbit Coupling on Molecular Properties: Dipole Moment and Polarizability of PbO and Spectroscopic Constants for the Ground and Excited States
(
- Chapter in Book/Report/Conference proceeding › Book chapter
-
Mark
Using on-top pair density for construction of correlation functionals for multideterminant wave functions
(
- Contribution to journal › Article
-
Mark
Spin-orbit ab initio study of alkyl halide dissociation via electronic curve crossing
(
- Contribution to journal › Article
-
Mark
Collisional properties of trapped cold chromium atoms
(
- Contribution to journal › Article
-
Mark
Evaluating the accuracy of a density functional theory of polymer solutions with additive hard sphere diameters
(
- Contribution to journal › Article
- 2003
-
Mark
Importance of proximal hydrogen bonds in haem proteins.
(
- Contribution to journal › Article
-
Mark
Metal ion enhanced binding of amd3100 to asp-262 in the cxcr4 receptor.
(
- Contribution to journal › Article