Tools for Understanding Molecular Orbital Interactions of Molecules on Surfaces─Density Functional Theory Calculations of H2 Adsorbed on Cu(111) and Pd/Cu(111)

Scott M. Simpson, Devin M. Mulvey

Open source

DOI
10.1021/acs.iecr.6c00574
Published
2026-06-03
Container
Industrial & Engineering Chemistry Research
Publisher
American Chemical Society (ACS)
Open access
unknown

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BibTeX

@article{allodium:10.1021/acs.iecr.6c00574,
  title = {Tools for Understanding
Molecular Orbital Interactions
of Molecules on Surfaces─Density Functional Theory Calculations
of H2 Adsorbed on Cu(111) and Pd/Cu(111)},
  author = {Scott M. Simpson and Devin M. Mulvey},
  year = {2026},
  journal = {Industrial \& Engineering
Chemistry Research},
  doi = {10.1021/acs.iecr.6c00574},
  url = {https://doi.org/10.1021/acs.iecr.6c00574}
}

RIS

TY  - JOUR
TI  - Tools for Understanding
Molecular Orbital Interactions
of Molecules on Surfaces─Density Functional Theory Calculations
of H2 Adsorbed on Cu(111) and Pd/Cu(111)
AU  - Scott M. Simpson
AU  - Devin M. Mulvey
PY  - 2026
JO  - Industrial & Engineering
Chemistry Research
DO  - 10.1021/acs.iecr.6c00574
UR  - https://doi.org/10.1021/acs.iecr.6c00574
ER  - 

APA

Simpson, S. M., & Mulvey, D. M. (2026). Tools for Understanding Molecular Orbital Interactions of Molecules on Surfaces─Density Functional Theory Calculations of H2 Adsorbed on Cu(111) and Pd/Cu(111). Industrial & Engineering Chemistry Research. https://doi.org/10.1021/acs.iecr.6c00574

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