Computational Chemistry
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- 2005
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Mark
On the solvation of ions in small water droplets
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- Contribution to journal › Article
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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
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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A molecule wired: Electrostatic investigation
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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
A comparative reactivity study of microperoxidases based on hemin, mesohemin and deuterohemin
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- Contribution to journal › Article
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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 simple analysis of thermodynamic properties for classical plasmas: II. Validation
2005) In Journal of Statistical Mechanics: Theory and Experiment(
- 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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Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution
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- Contribution to journal › Article