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Quantum Chemical Challenges for the Binding of Simple Alkanes to Supramolecular Hosts
American Chemical Society | 2013| -
Prediction of the Solvation and Structural Properties of Ionic Liquids in Water by Two-Dimensional Correlation Spectroscopy
American Chemical Society | 2008| -
Interaction of Water with the Model Ionic Liquid [bmim][BF4]: Molecular Dynamics Simulations and Comparison with NMR Data
American Chemical Society | 2008| -
On the Residence Time for Water in a Solute Hydration Shell: Application to Aqueous Halide Solutions
American Chemical Society | 2008| -
Modulation of the Spontaneous Curvature and Bending Rigidity of Lipid Membranes by Interfacially Adsorbed Amphipathic Peptides
American Chemical Society | 2008| -
Phase Behavior for Ternary Systems Composed of Ionic Liquid + Saccharides + Water
American Chemical Society | 2008| -
Efficient Calculation of Charge-Transfer Matrix Elements for Hole Transfer in DNA
American Chemical Society | 2008| -
Fibronectin Adsorption on Tantalum: The Influence of Nanoroughness
American Chemical Society | 2008| -
Shape-Controlled Platinum Nanocubes and Their Assembly into Two-Dimensional and Three-Dimensional Superlattices
American Chemical Society | 2008| -
Spectral Tuning in Visual Pigments: An ONIOM(QM:MM) Study on Bovine Rhodopsin and its Mutants
American Chemical Society | 2008| -
Study on Physicochemical Properties of Ionic Liquids Based on Alanine [C n mim][Ala] (n = 2,3,4,5,6)
American Chemical Society | 2008| -
Potential of Mean Force and pK a Profile Calculation for a Lipid Membrane-Exposed Arginine Side Chain
American Chemical Society | 2008| -
Hydrogen Tunneling in an Enzyme Active Site: A Quantum Wavepacket Dynamical Perspective
American Chemical Society | 2008|
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