Oxygen Interactions with Silica Surfaces: Coupled Cluster...

The Journal of Physical Chemistry C 2013 / 01 Vol. 117; Iss. 1

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

Kulkarni, Anant D., Truhlar, Donald G., Goverapet Srinivasan, Sriram, van Duin, Adri C. T., Norman, Paul, Schwartzentruber, Thomas E.
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Volume:
117
Language:
english
Journal:
The Journal of Physical Chemistry C
DOI:
10.1021/jp3086649
Date:
January, 2013
File:
PDF, 2.93 MB
english, 2013
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