## Abstract Computer simulation offers unique possibilities for investigating molecularβlevel phenomena difficult to probe experimentally. Drawing from a wealth of studies concerning protein folding, computational studies of protein aggregation are emerging. These studies have been successful in ca
Molecular simulation of relaxation behaviors of coal-aggregated structures
β Scribed by Toshimasa Takanohashi; Takahiro Yoshida; Hiroyuki Kawashima
- Book ID
- 108446282
- Publisher
- Elsevier Science
- Year
- 2002
- Tongue
- English
- Weight
- 167 KB
- Volume
- 77-78
- Category
- Article
- ISSN
- 0378-3820
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A high-volatile bituminous coal was extracted at room temperature by various organic solvents. The yields of the extracts ranged from 4.5 wt% daf (ethanol/benzene extract) to 38 wt% daf (pyridine/ethylenediamine extract). The extracts were analysed by FI mass spectrometry; the volatile part (75-80 w
Simulations of diffusion-limited cluster-cluster aggregation (DLCA) with no restructuring, full restructuring, and partial restructuring have been performed. The scattering patterns produced from these aggregates have been simulated using the Rayleigh-Gans-Debye approximation. Pure DLCA aggregates p