| 1 |
Structural Transitions of the Metal -Oxide Nodes within Metal- Organic Frameworks: On the Local Structures of NU-1000 and UiO-66
Platero-Prats AE, Mavrandonakis A, Gallington LC, Liu YY, Hupp JT, Farha OK, Cramer CJ, Chapmant KW
Journal of the American Chemical Society, 138(12), 4178, 2016 |
| 2 |
Ab lnitio Study of the Adsorption of Small Molecules on Metal-Organic Frameworks with Oxo-centered Trimetallic Building Units: The Role of the Undercoordinated Metal Ion
Mavrandonakis A, Vogiatzis KD, Boese AD, Fink K, Heine T, Klopper W
Inorganic Chemistry, 54(17), 8251, 2015 |
| 3 |
Enhancement of Hydrogen Adsorption in Metal-Organic Frameworks by the Incorporation of the Sulfonate Group and Li Cations. A Multiscale Computational Study
Mavrandonakis A, Klontzas E, Tylianakis E, Froudakis GE
Journal of the American Chemical Society, 131(37), 13410, 2009 |
| 4 |
Glycine interaction with carbon nanotubes: An ab initio study
Mavrandonakis A, Farantos SC, Froudakis GE
Journal of Physical Chemistry B, 110(12), 6048, 2006 |
