Using ONIOM calculations to investigate the abilities of simple and nitrogen, boron, sulfur‐doped carbon nanotubes in sensing of carbon monoxide

Subjects

Subjects :

ONIOM
SIMPLE (dark matter experiment)
Materials science
Doped carbon
Doping
Inorganic chemistry
chemistry.chemical_element
Condensed Matter Physics
Sulfur
Nitrogen
Atomic and Molecular Physics, and Optics
chemistry.chemical_compound
chemistry
Physical and Theoretical Chemistry
Boron
Carbon monoxide

Details

ISSN :

1097461X and 00207608

Volume :

120

Database :

OpenAIRE

Journal :

International Journal of Quantum Chemistry

Accession number :

edsair.doi...........36af55ac612ab44aa5ed2a9b9813520c

Full Text :

https://doi.org/10.1002/qua.26214