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- 2005
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Mark
Prewetting and layering in athermal polymer solutions
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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+)
(
- 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
Excitation energies for transition metal atoms - A comparison between coupled cluster methods and second-order perturbation theory
(
- Contribution to journal › Scientific review
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Mark
Ground state and electronic spectrum of Cu(II) and Cu(III) complexes of N,N '-1,2-phenylenebis-2-mercaptoacetamide
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- Contribution to journal › Article
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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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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
Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution
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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
Accurate QM/MM free energy calculations of enzyme reactions: Methylation by catechol O-methyltransferase
(
- Contribution to journal › Article