CO2 adsorption in Fe2(dobdc): A classical force field parameterized from quantum mechanical calculations

Joshua Borycz, Li Chiang Lin, Eric D. Bloch, Jihan Kim, Allison L. Dzubak, Rémi Maurice, David Semrouni, Kyuho Lee, Berend Smit, Laura Gagliardi

Research output: Contribution to journalArticlepeer-review

35 Scopus citations

Fingerprint Dive into the research topics of 'CO<sub>2</sub> adsorption in Fe<sub>2</sub>(dobdc): A classical force field parameterized from quantum mechanical calculations'. Together they form a unique fingerprint.

Chemical Compounds

Engineering & Materials Science

Physics & Astronomy