Computational Chemistry
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- 2009
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Mark
Electric multipole moment fluctuations in polar liquids.
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- Contribution to journal › Article
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Mark
Improvement of the NEMO Potential by Inclusion of Intramolecular Polarization
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- Contribution to journal › Article
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Mark
As UF3 Molecule with a Weak Triple Bond to Uranium
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- Contribution to journal › Article
-
Mark
A first-principles approach to protein–ligand interaction
2009)(
- Thesis › Doctoral thesis (compilation)
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Mark
Quantum mechanical/molecular mechanical (QM/MM) methods and applications in bioinorganic chemistry
2009) p.33-42(
- Chapter in Book/Report/Conference proceeding › Book chapter
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Mark
Rubus sect. Corylifolii in the province of Halland, SW Sweden
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- Contribution to journal › Article
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Mark
Ion binding to biomolecules
2009) p.217-230(
- Chapter in Book/Report/Conference proceeding › Book chapter
- 2008
-
Mark
The ozone ring closure as a test for multi-state multi-configurational second order perturbation theory (MS-CASPT2)
(
- Contribution to journal › Article
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Mark
The restricted active space followed by second-order perturbation theory method: Theory and application to the study of CuO(2) and Cu(2)O(2) systems.
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- Contribution to journal › Article
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Mark
PHYS 611-Macroconfiguration based approach for heavy element compounds: Implementation of relativistic generalized van Vleck perturbation theory (GVVPT3)
2008) 235th American-Chemical-Society National Meeting In Abstracts of Papers of the American Chemical Society 235. p.611-611(
- Contribution to journal › Published meeting abstract