A computational study on the steric effects of naphthenic moieties on aggregation interactions of nonconventional petroleum constituents

From National Research Council Canada

DOIResolve DOI: https://doi.org/10.1002/poc.3329
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  1. National Research Council of Canada. National Institute for Nanotechnology
FormatText, Article
SubjectAggregates; Aromatic compounds; Aromatic hydrocarbons; Aromatization; Atoms; Computation theory; Density functional theory; Free energy; Gibbs free energy; Hydrogen; Monomers; Oil shale; Oligomers; Aggregation behavior; Aromatic rings; Computational studies; DFT calculation; Dispersion interaction; Interaction enthalpies; Optimized geometries; Steric interactions; Dimers
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Peer reviewedYes
NPARC number21275682
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Record identifierc87f6f64-74be-4ca7-8181-33dbe521f384
Record created2015-07-14
Record modified2020-04-22
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