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The simulation of the STM image of a hydrocarbon tail of a fatty acid was carried out and compared to the experimental results. The simulation procedure includes calculations of the distribution of an isolated molecule electronic density by the extended Huckel-Hoffmann method. An agreement between the calculated and experimental STM images of closely packed Langmuir-Blodgett film of cobalt behenate...
A computer-based numerical modelling of the adsorption process of gas phase metallic particles on the surface of a graphite substrate has been performed via the application of molecular dynamics simulation method. The simulation relates to an extensive STM-based experiment performed in this field, and reproduces part of the experimental results. Both two-body and many-body inter-atomic potentials...
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