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- Title:
Constrained-Orbital Density Functional Theory. Computational Method and Applications to Surface Chemical Processes
- Document type:
- Zeitschriftenaufsatz
- Author(s):
- Plaisance, Craig P.; van Santen, Rutger A.; Reuter, Karsten
- Journal title:
- Journal of Chemical Theory and Computation
- Year:
- 2017
- Journal volume:
- 13
- Journal issue:
- 8
- Pages contribution:
- 3561-3574
- Fulltext / DOI:
- doi:10.1021/acs.jctc.7b00362
- Publisher:
- American Chemical Society (ACS)
- E-ISSN:
- 1549-96181549-9626
- Date of publication:
- 18.07.2017
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