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Journal of Physics: Condensed Matter, Vol. 22, No. 40. (22 September 2010), 404216, doi:10.1088/0953-8984/22/40/404216 Key: citeulike:11921408
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A new reverse Monte Carlo (RMC) method has been developed for creating three-dimensional structures in agreement with small angle scattering data. Extensive tests, using computer generated quasi-experimental data for aggregation processes via constrained RMC and Langevin molecular dynamics, were performed. The software is capable of fitting several consecutive time frames of scattering data, and movie-like visualization of the structure (and its evolution) either during or after the simulation is also possible.
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