Improved CO adsorption energies, site preferences, and surface formation energies from a meta-generalized gradient approximation exchange-correlation functional, M06-L

Sijie Luo, Yan Zhao, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

64 Scopus citations

Fingerprint

Dive into the research topics of 'Improved CO adsorption energies, site preferences, and surface formation energies from a meta-generalized gradient approximation exchange-correlation functional, M06-L'. Together they form a unique fingerprint.

Keyphrases

Material Science

Chemistry

Chemical Engineering