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Sillar, Kaido, Burk, Peeter (2007) Adsorption of carbon monoxide on Li-ZSM-5: theoretical study of complexation of Li+ cation with two CO molecules. Physical Chemistry Chemical Physics, 9 (7). 824pp. doi:10.1039/b616309b

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Reference TypeJournal (article/letter/editorial)
TitleAdsorption of carbon monoxide on Li-ZSM-5: theoretical study of complexation of Li+ cation with two CO molecules
JournalPhysical Chemistry Chemical Physics
AuthorsSillar, KaidoAuthor
Burk, PeeterAuthor
Year2007Volume9
Issue7
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/b616309bSearch in ResearchGate
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Mindat Ref. ID4010296Long-form Identifiermindat:1:5:4010296:4
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Full ReferenceSillar, Kaido, Burk, Peeter (2007) Adsorption of carbon monoxide on Li-ZSM-5: theoretical study of complexation of Li+ cation with two CO molecules. Physical Chemistry Chemical Physics, 9 (7). 824pp. doi:10.1039/b616309b
Plain TextSillar, Kaido, Burk, Peeter (2007) Adsorption of carbon monoxide on Li-ZSM-5: theoretical study of complexation of Li+ cation with two CO molecules. Physical Chemistry Chemical Physics, 9 (7). 824pp. doi:10.1039/b616309b
In(2007) Physical Chemistry Chemical Physics Vol. 9 (7) Royal Society of Chemistry (RSC)

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Sillar, Kaido, Burk, Peeter (2004) Computational study of vibrational frequencies of bridging hydroxyl groups in zeolite ZSM-5. Chemical Physics Letters, 393. 285-289 doi:10.1016/j.cplett.2004.06.039
Sillar, Kaido, Burk, Peeter (2004) Hybrid Quantum Chemical and Density Functional Theory (ONIOM) Study of the Acid Sites in Zeolite ZSM-5. The Journal of Physical Chemistry B, 108 (28). 9893-9899 doi:10.1021/jp037770s
Sillar, Kaido, Burk, Peeter (2002) Calculation of the properties of acid sites of the zeolite ZSM-5 using ONIOM method. Journal of Molecular Structure: THEOCHEM, 589. 281-290 doi:10.1016/s0166-1280(02)00283-x
Burk, Peeter, Tammiku-Taul, Jaana, Tamp, Sven, Sikk, Lauri, Sillar, Kaido, Mayeux, Charly, Gal, Jean-François, Maria, Pierre-Charles (2009) Computational Study of Cesium Cation Interactions with Neutral and Anionic Compounds Related to Soil Organic Matter. The Journal of Physical Chemistry A, 113 (40). 10734-10744 doi:10.1021/jp9046243
Burk, Jaanus, Sikk, Lauri, Tämm, Kaido, Burk, Peeter (2022) Comparative DFT study of americium and europium complexation with 2,9-bis(1,2-diazin-3-yl)-1,10-phenanthroline ligand in gas phase. Computational and Theoretical Chemistry, 1214. 113786 doi:10.1016/j.comptc.2022.113786
Burk, Jaanus, Adamson, Aiko, Sikk, Lauri, Tämm, Kaido, Pupart, Anni, Burk, Peeter (2020) DFT study of 2,9-bis(1,2,4-triazin-3-yl)-1,10-phenanthroline (BTPhen) and its derivatives complexation with lanthanide series. Computational and Theoretical Chemistry, 1175. 112729pp. doi:10.1016/j.comptc.2020.112729
Tämm, Kaido, Fara, Dan C., Katritzky, Alan R., Burk, Peeter, Karelson, Mati (2004) A Quantitative Structure−Property Relationship Study of Lithium Cation Basicities. The Journal of Physical Chemistry A, 108 (21). 4812-4818 doi:10.1021/jp037594n
Sillar, Kaido, Kundu, Arpan, Sauer, Joachim (2017) Ab Initio Adsorption Isotherms for Molecules with Lateral Interactions: CO2 in Metal–Organic Frameworks. The Journal of Physical Chemistry C, 121 (23). 12789-12799 doi:10.1021/acs.jpcc.7b02806
Otero Areán, C., Rodríguez Delgado, M., López Bauçà, C., Vrbka, L., Nachtigall, P. (2007) Carbon monoxide adsorption on low-silica zeolites—from single to dual and to multiple cation sites. Physical Chemistry Chemical Physics, 9 (33). 4657pp. doi:10.1039/b709073k
Sillar, Kaido, Hofmann, Alexander, Sauer, Joachim (2009) Ab Initio Study of Hydrogen Adsorption in MOF-5. Journal Of The American Chemical Society, 131 (11) 4143-4150 doi:10.1021/ja8099079
Castellà-Ventura, M., Moissette, A., Kassab, E. (2018) A theoretical study of the confinement effects on the energetics and vibrational properties of 4,4′-bipyridine adsorption on H-ZSM-5 zeolite. Physical Chemistry Chemical Physics, 20 (9). 6354-6364 doi:10.1039/c7cp07968k
 
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