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- 2004
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Mark
Main group atoms and dimers studied with a new relativistic ANO basis set
2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(15). p.2851-2858(
- Contribution to journal › Article
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Mark
Oppositely charged polyelectrolytes. Complex formation and effects of chain asymmetry
(
- Contribution to journal › Article
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Mark
How O-2 binds to heme - Reasons for rapid binding and spin inversion
(
- Contribution to journal › Article
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Mark
Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using Cholesky decompositions
(
- Contribution to journal › Article
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Mark
Simulation of phase equilibria in lamellar surfactant systems
(
- Contribution to journal › Article
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Mark
Relativistic atomic natural orbital type basis sets for the alkaline and alkaline-earth atoms applied to the ground-state potentials for the corresponding dimers
(
- Contribution to journal › Article
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Mark
Correlation potentials for a multiconfigurational-based density functional theory with exact exchange
(
- Contribution to journal › Article
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Mark
Theoretical aspects of tetrapyrrole biochemistry
2004)(
- Thesis › Doctoral thesis (compilation)
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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
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Mark
Competition between a macroion and a polyelectrolyte in complexation with an oppositely charged polyelectrolyte
(
- Contribution to journal › Article