Friday, December 21, 2012

Oxygen Interactions with Silica Surfaces: Coupled Cluster and Density Functional Investigation and the Development of a New ReaxFF Potential

Anant D. Kulkarni, Donald G. Truhlar, Sriram Goverapet Srinivasan, Adri C. T. van Duin, Paul Norman and Thomas E. Schwartzentruber



TOC Graphic


The Journal of Physical Chemistry C

DOI: 10.1021/jp3086649






Link to full article
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