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Kaido Sillar

Observed names: K Sillar, K. Sillar, Sillar, Kaido
Institution: University of Tartu
ORCID: 0000-0002-3434-3867
Observed ORCID: 0000-0002-3434-3867
OpenAlex ID: A5038490209
Ab Initio Study of Hydrogen Adsorption in MOF-5
2009 · Kaido Sillar, Alexander Hofmann, et al. · Journal of the American Chemical Society · 255
Heats of Adsorption of CO and CO2 in Metal–Organic Frameworks: Quantum Mechanical Study of CPO-27-M (M = Mg, Ni, Zn)
2011 · Loredana Valenzano, Bartolomeo Civalleri, et al. · The Journal of Physical Chemistry C · 134
Ab Initio Prediction of Adsorption Isotherms for Small Molecules in Metal–Organic Frameworks: The Effect of Lateral Interactions for Methane/CPO-27-Mg
2012 · Kaido Sillar, Joachim Sauer · Journal of the American Chemical Society · 97
Ab Initio Prediction of Adsorption Isotherms for Small Molecules in Metal–Organic Frameworks
2016 · Arpan Kundu, GiovanniMaria Piccini, et al. · Journal of the American Chemical Society · 78
Hybrid Quantum Chemical and Density Functional Theory (ONIOM) Study of the Acid Sites in Zeolite ZSM-5
2004 · Kaido Sillar, Peeter Burk · The Journal of Physical Chemistry B · 60
Hydrogen adsorbed in a metal organic framework-5: Coupled translation-rotation eigenstates from quantum five-dimensional calculations
2012 · Ivana Matanović, Jonathan L. Belof, et al. · The Journal of Chemical Physics · 46
Ab Initio Adsorption Isotherms for Molecules with Lateral Interactions: CO 2 in Metal–Organic Frameworks
2017 · Kaido Sillar, Arpan Kundu, et al. · The Journal of Physical Chemistry C · 42
Predicting adsorption selectivities from pure gas isotherms for gas mixtures in metal–organic frameworks
2019 · Arpan Kundu, Kaido Sillar, et al. · Chemical Science · 40
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Ab Initio Prediction of Adsorption Isotherms for Gas Mixtures by Grand Canonical Monte Carlo Simulations on a Lattice of Sites
2017 · Arpan Kundu, Kaido Sillar, et al. · The Journal of Physical Chemistry Letters · 35
Calculation of the properties of acid sites of the zeolite ZSM-5 using ONIOM method
2002 · Kaido Sillar, Peeter Burk · Journal of Molecular Structure THEOCHEM · 31
Computational study of vibrational frequencies of bridging hydroxyl groups in zeolite ZSM-5
2004 · Kaido Sillar, Peeter Burk · Chemical Physics Letters · 19
Gas-phase basicities and proton affinities of alkali metal oxides and hydroxides. A theoretical study
2001 · P Burk, K Sillar, et al. · Journal of Molecular Structure THEOCHEM · 19
Computational Study of Cesium Cation Interactions with Neutral and Anionic Compounds Related to Soil Organic Matter
2009 · Peeter Burk, Jaana Tammiku-Taul, et al. · The Journal of Physical Chemistry A · 18
Adsorption of carbon monoxide on Li-ZSM-5: theoretical study of complexation of Li+ cation with two CO molecules
2007 · Kaido Sillar, Peeter Burk · Physical Chemistry Chemical Physics · 12
Dual-Site Model for Ab Initio Calculations of Gibbs Free Energies and Enthalpies of Adsorption: Methane in Zeolite Mobile Five (H-MFI)
2022 · Marcin Rybicki, Kaido Sillar, et al. · The Journal of Physical Chemistry Letters · 10
Computational study of the acid sites in zeolite ZSM-5
2004 · Kaido Sillar · DSpace repository (University of Tartu) · 10
Acidity of saturated hydrocarbons
2001 · P. Burk, K. Sillar · Journal of Molecular Structure THEOCHEM · 10
Ab Initio Calculation of Thermodynamic Functions for CO2 Adsorption in Metal–Organic Frameworks: Entropic Effects of Lateral Interactions
2023 · Kaido Sillar, Ivar Koppel · The Journal of Physical Chemistry C · 9
Additive Lattice Response From Doping and Oxygen Vacancies in Perovskite Oxides: Connecting Experiment and Theory Beyond Dilute‐Limit Models
2026 · Kaido Sillar, Sara Paydar, et al. · Small Structures · 7
Ab Initio Prediction of Adsorption Selectivities for Binary Gas Mixtures on a Heterogeneous Metal–Organic Framework Surface
2023 · Kaido Sillar, Arpan Kundu, et al. · The Journal of Physical Chemistry C · 6
Atomistic Model for Water Adsorption in Mg-MOF-74: Quantum Chemical Prediction of Structures and Isotherms
2026 · Nicole Mancini, Fabian Berger, et al. · Journal of the American Chemical Society · 4
Chemically Accurate Prediction of CO 2 Adsorption Thermodynamics in Metal–Organic Framework CALF‐20: Complementary Ab Initio Modeling and Grand Canonical Monte Carlo Simulations
2026 · Kaido Sillar, Sonja Grubišić, et al. · Small Structures · 1
Hybrid QM:QM method for chemically accurate adsorption thermodynamics and isotherms
2026 · Kaido Sillar · Elsevier eBooks
List of contributors
2026 · Yosra Ajili, Lucas Albouy, et al. · Elsevier eBooks
Ab InitioPrediction of Adsorption Isotherms for SmallMolecules in Metal–Organic Frameworks
2016 · Arpan Kundu, Piccini GiovanniMaria, et al.
Works count: 27
Citation count: 943
H-index: 13
I10-index: 17
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