Export 5 results:
Filters: Keyword is INITIO MOLECULAR-DYNAMICS [Clear All Filters]
Simulation Of Water Adsorption On Kaolinite Under Atmospheric Conditions. Journal of Physical Chemistry A 2009, 113, 7826-7833.
Ozonization At The Vacancy Defect Site Of The Single-Walled Carbon Nanotube. J. Phys. Chem. B 2006, 110, 13037-13044.
Transferable Local Pseudopotentials Derived Via Inversion Of The Kohn-Sham Equations In A Bulk Environment. Phys. Rev. B 2004, 69, 125109.
Structure Determination Of Cu(410)-O Using X-Ray Diffraction And Dft Calculations. Surface Science 2002, 516, 16-32.