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
AuthorSearch for: ; Search for: ; Search for: ; Search for: 1
Affiliation
  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
Abstract
Publication date
In
LanguageEnglish
Peer reviewedYes
NPARC number21275682
Export citationExport as RIS
Report a correctionReport a correction (opens in a new tab)
Record identifierc87f6f64-74be-4ca7-8181-33dbe521f384
Record created2015-07-14
Record modified2020-04-22
Date modified: