Origin of superhardness in icosahedral B12 materials
Article Abstract:
A simple method for predicting the hardness of boron-rich phases has been presented. The predicted hardness of boron carbide and boron suboxide crystal match with their measured value. The boron rich materials formed by adding some element to boron icosahedra can be expected to have great potential in new superhard materials for industrial use.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Parameters for the generalized born model consistent with RESP atomic partial charge assignment protocol
Article Abstract:
A new set of parameters for the generalized Born (GB) model is reported, which is consistent with the RESP atomic partial charge assignment protocol. The calculations with GB/SA model are better than those with the other two solvation models, as shown by the comparison of the results of GB/SA model, PB/SA model, and Jayaram's GB/SA model.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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X-ray reflectivity study of a monolayer ferritin proteins at a nanofilm aqueous-aqueous interface
Article Abstract:
A complex spreading process, that forms a films, which results in the coexistence of macroscopic lenses and films that are several nanometers thick. An X-ray reflectivity study of ferritin proteins form a 2-dimensional array at the interface.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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