Computational Chemistry
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- 2018
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Nonclassical Hydrophobic Effect in Micellization : Molecular Arrangement of Non-Amphiphilic Structures
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- Contribution to journal › Article
- 2017
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Defining donor and acceptor strength in conjugated copolymers
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Binding free energies in the SAMPL5 octa-acid host–guest challenge calculated with DFT-D3 and CCSD(T)
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Interfacial Structures of Trihexyltetradecylphosphonium-bis(mandelato)borate Ionic Liquid Confined between Gold Electrodes
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- Contribution to journal › Article
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Quantum chemical calculations of the structural influence on electronic properties in TiO2 nanocrystals
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- Contribution to journal › Article
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Effect of friction on dense suspension flows of hard particles
2017) In Physical Review E: covering statistical, nonlinear, biological, and soft matter physics 95(1).(
- Contribution to journal › Article
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Adsorption of polyelectrolyte-like proteins to silica surfaces and the impact of pH on the response to ionic strength. A Monte Carlo simulation and ellipsometry study
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- Contribution to journal › Article
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Automatic procedure for generating symmetry adapted wavefunctions
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A PLS model for predicting rejection of trace organic compounds by nanofiltration using treated wastewater as feed
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The importance of the molecular weight of ethyl cellulose on the properties of aqueous-based controlled release coatings
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- Contribution to journal › Article