Investigation of typical heterocyclic fragment structures and reaction characteristics in oil shale...
Investigation of typical heterocyclic fragment structures and reaction characteristics in oil shale using density functional theory
About this item
Full title
Author / Creator
Publisher
New York: Springer US
Journal title
Language
English
Formats
Publication information
Publisher
New York: Springer US
Subjects
More information
Scope and Contents
Contents
The atomic structure and chemical behavior of heterocyclic fragments, such as pyridine, thiophene, and furan, in oil shale are crucial for optimizing its thermal pyrolysis process. This study employs density functional theory (DFT) to investigate the atomic structure and reactivity of typical heterocyclic fragments with impurities such as sulfur, n...
Alternative Titles
Full title
Investigation of typical heterocyclic fragment structures and reaction characteristics in oil shale using density functional theory
Authors, Artists and Contributors
Author / Creator
Identifiers
Primary Identifiers
Record Identifier
TN_cdi_proquest_journals_2956207432
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2956207432
Other Identifiers
ISSN
1040-0400
E-ISSN
1572-9001
DOI
10.1007/s11224-023-02215-y
