12 results on '"Bylaska, Eric J."'
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2. Theoretical studies of the global minima and polarizabilities of small lithium clusters
3. Water and carbon dioxide adsorption at olivine surfaces
4. Isotopic fractionation of Mg2+(aq), Ca2+(aq), and Fe2+(aq) with carbonate minerals
5. Calculation of boron-isotope fractionation between B(OH)3(aq) and
6. Electron, hole and exciton self-trapping in germanium doped silica glass from DFT calculations with self-interaction correction
7. Bond-valence methods for pKa prediction. II. Bond-valence, electrostatic, molecular geometry, and solvation effects
8. NWChem for materials science
9. Molecular simulation of the magnetite-water interface
10. Parallel implementation of the projector augmented plane wave method for charged systems
11. Native defect properties in β-SiC: Ab initio and empirical potential calculations
12. High performance computational chemistry: An overview of NWChem a distributed parallel application
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