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

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DOIResolve DOI: http://doi.org/10.1002/poc.3329
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TypeArticle
Journal titleJournal of Physical Organic Chemistry
ISSN0894-3230
Volume28
Issue3
Pages234241; # of pages: 8
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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Publication date
PublisherWiley
LanguageEnglish
AffiliationNational Research Council Canada (NRC-CNRC); National Institute for Nanotechnology
Peer reviewedYes
NPARC number21275682
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Record identifierc87f6f64-74be-4ca7-8181-33dbe521f384
Record created2015-07-14
Record modified2017-03-23
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