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Kaido Sillar
Kaido Sillar
Research Fellow in Chemical Physics, University of Tartu
Verified email at ut.ee
Title
Cited by
Cited by
Year
Ab initio study of hydrogen adsorption in MOF-5
K Sillar, A Hofmann, J Sauer
Journal of the American Chemical Society 131 (11), 4143-4150, 2009
2602009
Heats of Adsorption of CO and CO2 in Metal–Organic Frameworks: Quantum Mechanical Study of CPO-27-M (M = Mg, Ni, Zn)
L Valenzano, B Civalleri, K Sillar, J Sauer
The Journal of Physical Chemistry C 115 (44), 21777-21784, 2011
1482011
Ab initio prediction of adsorption isotherms for small molecules in metal–organic frameworks: the effect of lateral interactions for methane/CPO-27-Mg
K Sillar, J Sauer
Journal of the American Chemical Society 134 (44), 18354-18365, 2012
1062012
Ab Initio prediction of adsorption isotherms for small molecules in metal–organic frameworks
A Kundu, GM Piccini, K Sillar, J Sauer
Journal of the American Chemical Society 138 (42), 14047-14056, 2016
712016
Hybrid quantum chemical and density functional theory (ONIOM) study of the acid sites in zeolite ZSM-5
K Sillar, P Burk
The Journal of Physical Chemistry B 108 (28), 9893-9899, 2004
642004
Hydrogen adsorbed in a metal organic framework-5: Coupled translation-rotation eigenstates from quantum five-dimensional calculations
I Matanović, JL Belof, B Space, K Sillar, J Sauer, J Eckert, Z Bačić
The Journal of chemical physics 137 (1), 2012
472012
Ab Initio Adsorption Isotherms for Molecules with Lateral Interactions: CO2 in Metal–Organic Frameworks
K Sillar, A Kundu, J Sauer
The Journal of Physical Chemistry C 121 (23), 12789-12799, 2017
412017
Calculation of the properties of acid sites of the zeolite ZSM-5 using ONIOM method
K Sillar, P Burk
Journal of Molecular Structure: THEOCHEM 589, 281-290, 2002
372002
Ab initio prediction of adsorption isotherms for gas mixtures by Grand Canonical Monte Carlo simulations on a lattice of sites
A Kundu, K Sillar, J Sauer
The Journal of Physical Chemistry Letters 8 (12), 2713-2718, 2017
282017
Computational study of cesium cation interactions with neutral and anionic compounds related to soil organic matter
P Burk, J Tammiku-Taul, S Tamp, L Sikk, K Sillar, C Mayeux, JF Gal, ...
The Journal of Physical Chemistry A 113 (40), 10734-10744, 2009
242009
Predicting adsorption selectivities from pure gas isotherms for gas mixtures in metal–organic frameworks
A Kundu, K Sillar, J Sauer
Chemical Science 11 (3), 643-655, 2020
222020
Computational study of vibrational frequencies of bridging hydroxyl groups in zeolite ZSM-5
K Sillar, P Burk
Chemical physics letters 393 (4-6), 285-289, 2004
212004
Gas-phase basicities and proton affinities of alkali metal oxides and hydroxides. A theoretical study
P Burk, K Sillar, IA Koppel
Journal of Molecular Structure: THEOCHEM 543 (1-3), 223-231, 2001
212001
Acidity of saturated hydrocarbons
P Burk, K Sillar
Journal of Molecular Structure: THEOCHEM 535 (1-3), 49-59, 2001
132001
Adsorption of carbon monoxide on Li-ZSM-5: theoretical study of complexation of Li+ cation with two CO molecules
K Sillar, P Burk
Physical Chemistry Chemical Physics 9 (7), 824-827, 2007
122007
Dual-Site Model for Ab Initio Calculations of Gibbs Free Energies and Enthalpies of Adsorption: Methane in Zeolite Mobile Five (H-MFI)
M Rybicki, K Sillar, J Sauer
The Journal of Physical Chemistry Letters 13 (50), 11595-11600, 2022
42022
Ab Initio Prediction of Adsorption Selectivities for Binary Gas Mixtures on a Heterogeneous Metal–Organic Framework Surface
K Sillar, A Kundu, J Sauer
The Journal of Physical Chemistry C 127 (27), 13317-13326, 2023
2023
Ab Initio Calculation of Thermodynamic Functions for CO2 Adsorption in Metal–Organic Frameworks: Entropic Effects of Lateral Interactions
K Sillar, I Koppel
The Journal of Physical Chemistry C 127 (24), 11712-11719, 2023
2023
1st General Meeting Cádiz 1-3 March 2023
K Sillar
2023
Adsorption of carbon monoxide on Li-ZSM-5: theoretical study of complexation of Li+ cation with two CO moleculesThe HTML version of this article has been enhanced with colour …
K Sillar, P Burk
2007
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