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- 2005
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Mark
The coordination of uranyl in water: A combined quantum chemical and molecular simulation study
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- Contribution to journal › Article
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Mark
How the Co-C bond is cleaved in coenzyme B-12 enzymes: A theoretical study
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- Contribution to journal › Article
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Mark
New relativistic ANO basis sets for transition metal atoms
2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(29). p.6575-6579(
- Contribution to journal › Article
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Mark
Intermolecular vibrations of the water trimer, a matrix isolation study
2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(35). p.7859-7864(
- Contribution to journal › Article
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Mark
Reaction mechanism of porphyrin metallation studied by theoretical methods
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- Contribution to journal › Article
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Mark
Excitation energies for transition metal atoms - A comparison between coupled cluster methods and second-order perturbation theory
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- Contribution to journal › Scientific review
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Mark
New relativistic ANO basis sets for actinide atoms
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- Contribution to journal › Article
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Mark
A very short uranium-uranium bond: The predicted metastable U-2(2+)
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- Contribution to journal › Article
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Mark
The electronic spectrum of the UO2 molecule
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- Contribution to journal › Article
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Mark
Binding of charged ligands to macromolecules. Anomalous salt dependence
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- Contribution to journal › Article