Computational Chemistry
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- 2003
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Mark
On the effective interaction between an ion and a hydrophobic particle in polar solvents. A step towards an understanding of the hofmeister effect?
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- Contribution to journal › Article
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Mark
The electronic spectrum of VCr
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- Contribution to journal › Article
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Phase behavior of an ionic surfactant with mixed monovalent/polymeric counterions
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- Contribution to journal › Article
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Theoretical prediction of the co-c bond strength in cobalamins.
2003) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 107(38). p.7539-7545(
- Contribution to journal › Article
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Mark
The allyl radical revisited: A theoretical study of the electronic spectrum.
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- Contribution to journal › Article
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Mark
Quantum Chemistry Can Locally Improve Protein Crystal Structures
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- Contribution to journal › Article
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An automatic method to generate force-field parameters for hetero-compounds.
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- Contribution to journal › Article
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Mark
Ab initio MP2 and DFT study of the thermal Syn elimination reaction in ethyl formate
2003) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 107(10). p.1651-1654(
- Contribution to journal › Article
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Mark
Semidirect parallel self-consistent field: the load balancing problem in the input/output intensive self-consistent field iterations
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- Contribution to journal › Article
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Bjorn's top ten
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- Contribution to journal › Letter