| 1 |
Ab Initio Prediction of Adsorption Isotherms for Small Molecules in Metal-Organic Frameworks
Kundu A, Piccini G, Sillar K, Sauer J
Journal of the American Chemical Society, 138(42), 14047, 2016 |
| 2 |
Ab Initio Prediction of Adsorption Isotherms for Small Molecules in Metal-Organic Frameworks: The Effect of Lateral Interactions for Methane/CPO-27-Mg
Sillar K, Sauer J
Journal of the American Chemical Society, 134(44), 18354, 2012 |
| 3 |
Computational Study of Cesium Cation Interactions with Neutral and Anionic Compounds Related to Soil Organic Matter
Burk P, Tammiku-Taul J, Tamp S, Sikk L, Sillar K, Mayeux C, Gal JF, Maria PC
Journal of Physical Chemistry A, 113(40), 10734, 2009 |
| 4 |
Ab Initio Study of Hydrogen Adsorption in MOF-5
Sillar K, Hofmann A, Sauer J
Journal of the American Chemical Society, 131(11), 4143, 2009 |
| 5 |
Computational study of vibrational frequencies of bridging hydroxyl groups in zeolite ZSM-5
Sillar K, Burk P
Chemical Physics Letters, 393(4-6), 285, 2004 |
| 6 |
Hybrid quantum chemical and density functional theory (ONIOM) study of the acid sites in zeolite ZSM-5
Sillar K, Burk P
Journal of Physical Chemistry B, 108(28), 9893, 2004 |
