The reactivity of CO2on the MgO(100) surface

Periodic DFT Study of Acidic Trace Atmospheric Gas Molecule Adsorption on Ca- and Fe-Doped MgO(001) Surface Basic Sites

(2012) Jonas Baltrusaitis et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Lewis Acido-Basic Interactions between CO2 and MgO Surface: DFT and DRIFT Approaches

(2012) Damien Cornu et al.   Journal of Physical Chemistry C

Recent advances in capture of carbon dioxide using alkali-metal-based oxides

(2011) Shengping Wang et al.   Energy & Environmental Science

Characterization of hydrogen dissociation over aluminium-doped zinc oxide using an efficient massively parallel framework for QM/MM calculations

(2011) T. W. Keal et al.   PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Adsorbent Materials for Carbon Dioxide Capture from Large Anthropogenic Point Sources

(2009) Sunho Choi et al.   ChemSusChem

DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations†

(2009) Johannes Kästner et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Chemical reactivity of oxygen vacancies on the MgO surface: Reactions with CO2, NO2 and metals

(2008) Elizabeth Florez et al.   CATALYSIS TODAY

F and F+Centers on MgO/Ag(100) or MgO/Mo(100) Ultrathin Films:  Are They Stable?

(2008) Livia Giordano et al.   Journal of Physical Chemistry C