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- 2004
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Mark
A theoretical study of the bonding in trivalent americium complexes
(
- 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
-
Mark
Theoretical aspects of tetrapyrrole biochemistry
2004)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Binding of benzylpenicillin to metallo-beta-lactamase: A QM/MM study
(
- Contribution to journal › Article
-
Mark
A coupled cluster study of the oriented circular dichroism of the n ->pi* electronic transition in cyclopropanone and natural optical active related structures
(
- Contribution to journal › Article
-
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
- 2003
-
Mark
The importance of porphyrin distortions for the ferrochelatase reaction.
(
- Contribution to journal › Article
-
Mark
Density functional studies of solvation forces in hard sphere polymer solutions confined between adsorbing walls. I. Solvent effects and dependence on surface potential range.
(
- Contribution to journal › Article
-
Mark
An accurate quartic force field and fundamental frequencies for the ozonide anion.
(
- Contribution to journal › Article