Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
115 (2001), S. 2303-2311
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The structures of the ordered diamond(100)-2×1-2NH2, disordered diamond(110)-1×1-2NH2, and quasiordered diamond(111)-1×1-NH2 surfaces were calculated using molecular mechanics and density functional approaches. The surface infrared spectra were simulated using force field molecular dynamics and compared to experimental observations. Hydrogen bonding was found to play a significant role in the structures and spectroscopic properties of these surfaces. © 2001 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.1376380
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