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Keemia instituudi andmed

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31 to 40 of 53 Results

Step-by-step replacement of cyano groups by tricyanovinyls – the influence on the acidity Sep 27, 2023 - Keemia instituudi andmed Kütt, Agnes, 2023, "Step-by-step replacement of cyano groups by tricyanovinyls – the influence on the acidity", https://doi.org/10.23673/RE-436, DATADOI, V1 The dataset includes supporting information files for the article "Step-by-step replacement of cyano groups by tricyanovinyls – the influence on the acidity". The dataset contains results of optimization and frequency calculations carried out by Turbomole and Gaussian. Acid-base properties are the simplest expression of compounds’ coordinating abil...
Data of iron, cobalt, and nickel phthalocyanines tri-doped electrospun carbon nanofibre-based catalyst for rechargeable zinc-air battery air electrode Aug 11, 2023 - Keemia instituudi andmed Muuli, Kaur; Kumar, Rohit; Mooste, Marek; Gudkova, Viktoria; Treshchalov, Alexey; Piirsoo, Helle-Mai; Kikas, Arvo; Aruväli, Jaan; Kisand, Vambola; Tamm, Aile; Krumme, Andres; Moni, Prabu; Wilhelm, Michaela; Tammeveski, Kaido, 2023, "Data of iron, cobalt, and nickel phthalocyanines tri-doped electrospun carbon nanofibre-based catalyst for rechargeable zinc-air battery air electrode", https://doi.org/10.23673/RE-427, DATADOI, V1 This dataset contains the data presented in the figures of pulbished paper "Iron, Cobalt, and Nickel Phthalocyanines Tri-Doped Electro-spun Carbon Nanofibre-Based Catalyst for Rechargeable Zinc-Air Battery Air Electrode" Materials 16 4626 (https://doi.org/10.3390/ma16134626). The electrochemical characterisation data, which was measured in Universi...
Data of iron and cobalt phthalocyanine embedded electrospun carbon nanofiber-based catalysts for anion exchange membrane fuel cell cathode Aug 10, 2023 - Keemia instituudi andmed Muuli, Kaur; Sokka, Andri; Mooste, Marek; Lilloja, Jaana; Gudkova, Viktoria; Käärik, Maike; Otsus, Markus; Kikas, Arvo; Kisand, Vambola; Tamm, Aile; Leis, Jaan; Krumme, Andres; Holdcroft, Steven; Zagal, José H.; Tammeveski, Kaido, 2023, "Data of iron and cobalt phthalocyanine embedded electrospun carbon nanofiber-based catalysts for anion exchange membrane fuel cell cathode", https://doi.org/10.23673/RE-425, DATADOI, V1 This dataset contains the data presented in the figures of pulbished paper "Iron and cobalt phthalocyanine embedded electrospun carbon nanofiber-based catalysts for anion exchange membrane fuel cell cathode" Journal of Catalysis 422, 117-130 (https://doi.org/10.1016/j.jcat.2023.04.008). The electrochemical characterisation data, which was measured...
Data of electrospun carbon nanofibre-based catalysts prepared with Co and Fe phthalocyanine for oxygen reduction in acidic medium Aug 10, 2023 - Keemia instituudi andmed Muuli, Kaur; Mooste, Marek; Akula, Srinu; Gudkova, Viktoria; Otsus, Markus; Kikas, Arvo; Aruväli, Jaan; Treshchalov, Alexey; Kisand, Vambola; Tamm, Aile; Krumme, Andres; Cavaliere, Sara; Tammeveski, Kaido, 2023, "Data of electrospun carbon nanofibre-based catalysts prepared with Co and Fe phthalocyanine for oxygen reduction in acidic medium", https://doi.org/10.23673/RE-426, DATADOI, V1 This dataset contains the data presented in the figures of pulbished paper "Electrospun Carbon Nanofibre-Based Catalysts Prepared with Co and Fe Phthalocyanine for Oxygen Reduction in Acidic Medium" ChemElectroChem, e202300131 (https://doi.org/10.1002/celc.202300131). The electrochemical characterisation data, which was measured in University of Ta...
Data of outstanding platinum group metal-free bifunctional catalysts for rechargeable zinc-air batteries Aug 9, 2023 - Keemia instituudi andmed Muuli, Kaur; Lyu, Xiang; Mooste, Marek; Käärik, Maike; Zulevi, Barr; Leis, Jaan; Yu, Haoran; Cullen, David A.; Serov, Alexey; Tammeveski, Kaido, 2023, "Data of outstanding platinum group metal-free bifunctional catalysts for rechargeable zinc-air batteries", https://doi.org/10.23673/RE-424, DATADOI, V1 This dataset contains the data presented in the figures of pulbished paper "Outstanding platinum group metal-free bifunctional catalysts for rechargeable zinc-air batteries" Electrochimica Acta 446 142126 (https://doi.org/10.1016/j.electacta.2023.142126) The electrochemical characterisation data, which was measured in University of Tartu Institute...
Ab Initio Calculation of Thermodynamic Functions for CO2 Adsorption in Metal-Organic Frameworks: Entropic Effects of Lateral Interactions May 16, 2023 - Keemia instituudi andmed Sillar, Kaido; Koppel, Ivar, 2023, "Ab Initio Calculation of Thermodynamic Functions for CO2 Adsorption in Metal-Organic Frameworks: Entropic Effects of Lateral Interactions", https://doi.org/10.23673/RE-406, DATADOI, V1 Structure files used in "Ab Initio Calculation of Thermodynamic Functions for CO2 Adsorption in Metal-Organic Frameworks: Entropic Effects of Lateral Interactions"
Tris(benzophenoneimino)phosphane and related compounds Jan 11, 2023 - Keemia instituudi andmed Pikma, Marta-Lisette; Lõkov, Märt; Tshepelevitsh, Sofja; Saame, Jaan; Haljasorg, Tõiv; Toom, Lauri; Selberg, Sigrid; Leito, Ivo; Kütt, Agnes, 2023, "Tris(benzophenoneimino)phosphane and related compounds", https://doi.org/10.23673/RE-379, DATADOI, V1 The dataset includes files supporting the article named "Tris(benzophenoneimino)phosphane and related compounds". Monocrystal XRD data, calculated .cosmo files, calculated pKaH values for related and correlation compounds, gas-phase geometry optimization and frequency calculation files, and NMR files are given.
Data of electrospun polyacrylonitrile-derived Co or Fe containing nanofibre catalysts for oxygen reduction reaction at the alkaline membrane fuel cell cathode Jan 2, 2023 - Keemia instituudi andmed Mooste, Marek; Kibena-Põldsepp, Elo; Gudkova, Viktoria; Kikas, Arvo; Käärik, Maike; Kozlova, Jekaterina; Kisand, Vambola; Külaviir, Marian; Cavaliere, Sara; Leis, Jaan; Krumme, Andres; Sammelselg, Väino; Holdcroft, Steven; Tammeveski, Kaido, 2023, "Data of electrospun polyacrylonitrile-derived Co or Fe containing nanofibre catalysts for oxygen reduction reaction at the alkaline membrane fuel cell cathode", https://doi.org/10.23673/RE-373, DATADOI, V1 This dataset contains the data presented in the figures of pulbished paper "Electrospun Polyacrylonitrile-Derived Co or Fe Containing Nanofibre Catalysts for Oxygen Reduction Reaction at the Alkaline Membrane Fuel Cell Cathode" ChemCatChem 12, 4568 –4581 (https://doi.org/10.1002/cctc.202000658) The electrochemical characterisation data, which was m...
Data of iron and cobalt containing electrospun carbon nanofibre-based cathode catalysts for anion exchange membrane fuel cell Dec 30, 2022 - Keemia instituudi andmed Sokka, Andri; Mooste, Marek; Käärik, Maike; Gudkova, Viktoria; Kozlova, Jekaterina; Kikas, Arvo; Kisand, Vambola; Treshchalov, Alexey; Tamm, Aile; Paiste, Päärn; Aruväli, Jaan; Leis, Jaan; Krumme, Andres; Holdcroft, Steven; Cavaliere, Sara; Jaouen, Frédéric; Tammeveski, Kaido, 2022, "Data of iron and cobalt containing electrospun carbon nanofibre-based cathode catalysts for anion exchange membrane fuel cell", https://doi.org/10.23673/RE-370, DATADOI, V1 This dataset contains the data presented in the figures of pulbished paper "Iron and cobalt containing electrospun carbon nanofibre-based cathode catalysts for anion exchange membrane fuel cell" International Journal of Hydrogen Energy 46, 31275-31287 (https://doi.org/10.1016/j.ijhydene.2021.07.025) The electrochemical characterisation data, which...
Data of transition metal phthalocyanine-modified shungite-based cathode catalysts for alkaline membrane fuel cell Dec 30, 2022 - Keemia instituudi andmed Mooste, Marek; Tkesheliadze, Tinatin; Kozlova, Jekaterina; Kikas, Arvo; Kisand, Vambola; Treshchalov, Alexey; Tamm, Aile; Aruväli, Jaan; Zagal, José H.; Kannan, Arunachala M.; Tammeveski, Kaido, 2022, "Data of transition metal phthalocyanine-modified shungite-based cathode catalysts for alkaline membrane fuel cell", https://doi.org/10.23673/RE-371, DATADOI, V1 This dataset contains the data presented in the figures of pulbished paper "Transition metal phthalocyanine-modified shungite-based cathode catalysts for alkaline membrane fuel cell" International Journal of Hydrogen Energy 46, 4365-4377 (https://doi.org/10.1016/j.ijhydene.2020.10.231) The electrochemical characterisation data, which was measured i...

Step-by-step replacement of cyano groups by tricyanovinyls – the influence on the acidity

Sep 27, 2023 - Keemia instituudi andmed

Kütt, Agnes, 2023, "Step-by-step replacement of cyano groups by tricyanovinyls – the influence on the acidity", https://doi.org/10.23673/RE-436, DATADOI, V1

The dataset includes supporting information files for the article "Step-by-step replacement of cyano groups by tricyanovinyls – the influence on the acidity". The dataset contains results of optimization and frequency calculations carried out by Turbomole and Gaussian. Acid-base properties are the simplest expression of compounds’ coordinating abil...

Data of iron, cobalt, and nickel phthalocyanines tri-doped electrospun carbon nanofibre-based catalyst for rechargeable zinc-air battery air electrode

Aug 11, 2023 - Keemia instituudi andmed

Muuli, Kaur; Kumar, Rohit; Mooste, Marek; Gudkova, Viktoria; Treshchalov, Alexey; Piirsoo, Helle-Mai; Kikas, Arvo; Aruväli, Jaan; Kisand, Vambola; Tamm, Aile; Krumme, Andres; Moni, Prabu; Wilhelm, Michaela; Tammeveski, Kaido, 2023, "Data of iron, cobalt, and nickel phthalocyanines tri-doped electrospun carbon nanofibre-based catalyst for rechargeable zinc-air battery air electrode", https://doi.org/10.23673/RE-427, DATADOI, V1

This dataset contains the data presented in the figures of pulbished paper "Iron, Cobalt, and Nickel Phthalocyanines Tri-Doped Electro-spun Carbon Nanofibre-Based Catalyst for Rechargeable Zinc-Air Battery Air Electrode" Materials 16 4626 (https://doi.org/10.3390/ma16134626). The electrochemical characterisation data, which was measured in Universi...

Data of iron and cobalt phthalocyanine embedded electrospun carbon nanofiber-based catalysts for anion exchange membrane fuel cell cathode

Aug 10, 2023 - Keemia instituudi andmed

Muuli, Kaur; Sokka, Andri; Mooste, Marek; Lilloja, Jaana; Gudkova, Viktoria; Käärik, Maike; Otsus, Markus; Kikas, Arvo; Kisand, Vambola; Tamm, Aile; Leis, Jaan; Krumme, Andres; Holdcroft, Steven; Zagal, José H.; Tammeveski, Kaido, 2023, "Data of iron and cobalt phthalocyanine embedded electrospun carbon nanofiber-based catalysts for anion exchange membrane fuel cell cathode", https://doi.org/10.23673/RE-425, DATADOI, V1

This dataset contains the data presented in the figures of pulbished paper "Iron and cobalt phthalocyanine embedded electrospun carbon nanofiber-based catalysts for anion exchange membrane fuel cell cathode" Journal of Catalysis 422, 117-130 (https://doi.org/10.1016/j.jcat.2023.04.008). The electrochemical characterisation data, which was measured...

Data of electrospun carbon nanofibre-based catalysts prepared with Co and Fe phthalocyanine for oxygen reduction in acidic medium

Aug 10, 2023 - Keemia instituudi andmed

Muuli, Kaur; Mooste, Marek; Akula, Srinu; Gudkova, Viktoria; Otsus, Markus; Kikas, Arvo; Aruväli, Jaan; Treshchalov, Alexey; Kisand, Vambola; Tamm, Aile; Krumme, Andres; Cavaliere, Sara; Tammeveski, Kaido, 2023, "Data of electrospun carbon nanofibre-based catalysts prepared with Co and Fe phthalocyanine for oxygen reduction in acidic medium", https://doi.org/10.23673/RE-426, DATADOI, V1

This dataset contains the data presented in the figures of pulbished paper "Electrospun Carbon Nanofibre-Based Catalysts Prepared with Co and Fe Phthalocyanine for Oxygen Reduction in Acidic Medium" ChemElectroChem, e202300131 (https://doi.org/10.1002/celc.202300131). The electrochemical characterisation data, which was measured in University of Ta...

Data of outstanding platinum group metal-free bifunctional catalysts for rechargeable zinc-air batteries

Aug 9, 2023 - Keemia instituudi andmed

Muuli, Kaur; Lyu, Xiang; Mooste, Marek; Käärik, Maike; Zulevi, Barr; Leis, Jaan; Yu, Haoran; Cullen, David A.; Serov, Alexey; Tammeveski, Kaido, 2023, "Data of outstanding platinum group metal-free bifunctional catalysts for rechargeable zinc-air batteries", https://doi.org/10.23673/RE-424, DATADOI, V1

This dataset contains the data presented in the figures of pulbished paper "Outstanding platinum group metal-free bifunctional catalysts for rechargeable zinc-air batteries" Electrochimica Acta 446 142126 (https://doi.org/10.1016/j.electacta.2023.142126) The electrochemical characterisation data, which was measured in University of Tartu Institute...

Ab Initio Calculation of Thermodynamic Functions for CO2 Adsorption in Metal-Organic Frameworks: Entropic Effects of Lateral Interactions

May 16, 2023 - Keemia instituudi andmed

Sillar, Kaido; Koppel, Ivar, 2023, "Ab Initio Calculation of Thermodynamic Functions for CO2 Adsorption in Metal-Organic Frameworks: Entropic Effects of Lateral Interactions", https://doi.org/10.23673/RE-406, DATADOI, V1

Structure files used in "Ab Initio Calculation of Thermodynamic Functions for CO2 Adsorption in Metal-Organic Frameworks: Entropic Effects of Lateral Interactions"

Tris(benzophenoneimino)phosphane and related compounds

Jan 11, 2023 - Keemia instituudi andmed

Pikma, Marta-Lisette; Lõkov, Märt; Tshepelevitsh, Sofja; Saame, Jaan; Haljasorg, Tõiv; Toom, Lauri; Selberg, Sigrid; Leito, Ivo; Kütt, Agnes, 2023, "Tris(benzophenoneimino)phosphane and related compounds", https://doi.org/10.23673/RE-379, DATADOI, V1

The dataset includes files supporting the article named "Tris(benzophenoneimino)phosphane and related compounds". Monocrystal XRD data, calculated .cosmo files, calculated pKaH values for related and correlation compounds, gas-phase geometry optimization and frequency calculation files, and NMR files are given.

Data of electrospun polyacrylonitrile-derived Co or Fe containing nanofibre catalysts for oxygen reduction reaction at the alkaline membrane fuel cell cathode

Jan 2, 2023 - Keemia instituudi andmed

Mooste, Marek; Kibena-Põldsepp, Elo; Gudkova, Viktoria; Kikas, Arvo; Käärik, Maike; Kozlova, Jekaterina; Kisand, Vambola; Külaviir, Marian; Cavaliere, Sara; Leis, Jaan; Krumme, Andres; Sammelselg, Väino; Holdcroft, Steven; Tammeveski, Kaido, 2023, "Data of electrospun polyacrylonitrile-derived Co or Fe containing nanofibre catalysts for oxygen reduction reaction at the alkaline membrane fuel cell cathode", https://doi.org/10.23673/RE-373, DATADOI, V1

This dataset contains the data presented in the figures of pulbished paper "Electrospun Polyacrylonitrile-Derived Co or Fe Containing Nanofibre Catalysts for Oxygen Reduction Reaction at the Alkaline Membrane Fuel Cell Cathode" ChemCatChem 12, 4568 –4581 (https://doi.org/10.1002/cctc.202000658) The electrochemical characterisation data, which was m...

Data of iron and cobalt containing electrospun carbon nanofibre-based cathode catalysts for anion exchange membrane fuel cell

Dec 30, 2022 - Keemia instituudi andmed

Sokka, Andri; Mooste, Marek; Käärik, Maike; Gudkova, Viktoria; Kozlova, Jekaterina; Kikas, Arvo; Kisand, Vambola; Treshchalov, Alexey; Tamm, Aile; Paiste, Päärn; Aruväli, Jaan; Leis, Jaan; Krumme, Andres; Holdcroft, Steven; Cavaliere, Sara; Jaouen, Frédéric; Tammeveski, Kaido, 2022, "Data of iron and cobalt containing electrospun carbon nanofibre-based cathode catalysts for anion exchange membrane fuel cell", https://doi.org/10.23673/RE-370, DATADOI, V1

This dataset contains the data presented in the figures of pulbished paper "Iron and cobalt containing electrospun carbon nanofibre-based cathode catalysts for anion exchange membrane fuel cell" International Journal of Hydrogen Energy 46, 31275-31287 (https://doi.org/10.1016/j.ijhydene.2021.07.025) The electrochemical characterisation data, which...

Data of transition metal phthalocyanine-modified shungite-based cathode catalysts for alkaline membrane fuel cell

Dec 30, 2022 - Keemia instituudi andmed

Mooste, Marek; Tkesheliadze, Tinatin; Kozlova, Jekaterina; Kikas, Arvo; Kisand, Vambola; Treshchalov, Alexey; Tamm, Aile; Aruväli, Jaan; Zagal, José H.; Kannan, Arunachala M.; Tammeveski, Kaido, 2022, "Data of transition metal phthalocyanine-modified shungite-based cathode catalysts for alkaline membrane fuel cell", https://doi.org/10.23673/RE-371, DATADOI, V1

This dataset contains the data presented in the figures of pulbished paper "Transition metal phthalocyanine-modified shungite-based cathode catalysts for alkaline membrane fuel cell" International Journal of Hydrogen Energy 46, 4365-4377 (https://doi.org/10.1016/j.ijhydene.2020.10.231) The electrochemical characterisation data, which was measured i...

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