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- 2010
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Mark
On the mechanism of dissolution of cellulose
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- Contribution to journal › Article
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Dielectric Interpretation of Specificity of Ion Pairing in Water
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- Contribution to journal › Article
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Utilizing high performance computing for chemistry: parallel computational chemistry
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- Contribution to journal › Article
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Functionally Relevant Interplay between the Fe(4)S(4) Cluster and CN(-) Ligands in the Active Site of [FeFe]-Hydrogenases.
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- Contribution to journal › Article
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Mark
Multireference Ab Initio Calculations of g tensors for Trinuclear Copper Clusters in Multicopper Oxidases.
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- Contribution to journal › Article
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Mark
Molecular evidence of stereo-specific lactoferrin dimers in solution.
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- Contribution to journal › Article
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Mark
Infrared Spectra and Quantum Chemical Calculations of the Uranium Carbide Molecules UC and CUC with Triple Bonds.
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- Contribution to journal › Article
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Mark
An MM/3D-RISM approach for ligand binding affinities.
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- Contribution to journal › Article
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Software News and Update MOLCAS 7: The Next Generation
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- Contribution to journal › Scientific review
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Estimates of ligand-binding affinities supported by quantum mechanical methods.
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- Contribution to journal › Article