Computational Chemistry
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- 2010
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Mark
Software News and Update MOLCAS 7: The Next Generation
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- Contribution to journal › Scientific review
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An exact calculation of the van der Waals interaction between two spheres of classical dipolar fluid.
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- Contribution to journal › Article
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How to obtain statistically converged MM/GBSA results.
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- Contribution to journal › Article
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Differential Capacitance of Room Temperature Ionic Liquids: The Role of Dispersion Forces
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- Contribution to journal › Article
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Mark
Reversal of Hofmeister Ordering for Pairing of NH4+ vs Alkylated Ammonium Cations with Halide Anions in Water
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- Contribution to journal › Article
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Mark
Protein Flexibility and Conformational Entropy in Ligand Design Targeting the Carbohydrate Recognition Domain of Galectin-3.
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- Contribution to journal › Article
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Mark
Electrostatic Chameleons in Biological Systems.
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- Contribution to journal › Article
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Quantum refinement of [FeFe] hydrogenase indicates a dithiomethylamine ligand
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- Contribution to journal › Article
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CrRb: A molecule with large magnetic and electric dipole moments
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- Contribution to journal › Article
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Mark
Basis set representation of the electron density at an atomic nucleus
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- Contribution to journal › Article