Title | Date | Subject | Description | ||
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![]() | Atomistic modelling of oil shale kerogens and asphaltenes | 2012-10-21 | Atomistic modeling; Oil shale; Kerogens; Asphaltenes; 3D models; Pyrolysis; Computational modeling; Molecular mechanics; HyperCHem/ReaxFF; Ab initio calculations; Gaussian/GAMESS; DIFFUSE; CRYSOL |