SFB 1333 "Molecular heterogeneous catalysis in confined geometries"

All primary data files of published research from CRC 1333, e.g. from journal articles.

SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

SFB 1333 C1 - Dyballa group, ITC

SFB 1333 C5 - Groß/ Hansen group, ITT

SFB 1333 C4 - Kästner group, ITheoC

SFB 1333 A4 - Traa group, ITC

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161 to 170 of 18,200 Results

CSV.zip Mar 13, 2025 - Replication data of Estes group for: "Oxo-Bridged Zr Dimers as Well-defined Models of Oxygen Vacancies on ZrO2" ZIP Archive - 33.3 KB - MD5: f2056f0281b037b77a94ac1b5e47730e
EPR_raw.zip Mar 13, 2025 - Replication data of Estes group for: "Oxo-Bridged Zr Dimers as Well-defined Models of Oxygen Vacancies on ZrO2" ZIP Archive - 31.0 KB - MD5: 7c2c1e1c55f7dfd160bc1beea0c5270f
IR.zip Mar 13, 2025 - Replication data of Estes group for: "Oxo-Bridged Zr Dimers as Well-defined Models of Oxygen Vacancies on ZrO2" ZIP Archive - 30.4 KB - MD5: c38397f4b502472f57579134f7fc9c89
NMR.zip Mar 13, 2025 - Replication data of Estes group for: "Oxo-Bridged Zr Dimers as Well-defined Models of Oxygen Vacancies on ZrO2" ZIP Archive - 3.8 MB - MD5: 8be8a5dbaa6152f893051cab7c7df44f
Replication Data for: Origin of Stereoselectivity in Ring Opening Metathesis Polymerization with Cationic Molybdenum Imido Alkylidene CAAC Complexes Mar 5, 2025 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Kundu, Koushani; Buchmeiser, Michael, 2025, "Replication Data for: Origin of Stereoselectivity in Ring Opening Metathesis Polymerization with Cationic Molybdenum Imido Alkylidene CAAC Complexes", https://doi.org/10.18419/DARUS-4791, DaRUS, V1 This dataset includes the NMR (1H, 19F and 13C) of the novel catalysts used in this article, the single crystal X-ray structure of a catalyst, and the proton NMR of the polymers.
I5.zip Mar 5, 2025 - Replication Data for: Origin of Stereoselectivity in Ring Opening Metathesis Polymerization with Cationic Molybdenum Imido Alkylidene CAAC Complexes ZIP Archive - 1.1 MB - MD5: bb13cacbf7d3316a88018d9acd18e4c9
NMR.zip Mar 5, 2025 - Replication Data for: Origin of Stereoselectivity in Ring Opening Metathesis Polymerization with Cationic Molybdenum Imido Alkylidene CAAC Complexes ZIP Archive - 30.4 MB - MD5: f7cb35d440327d1bb422ff49a04f1061
Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations" Feb 14, 2025 - Institute of Thermodynamics and Thermal Process Engineering Spera, Marcelle; Darouich, Samir; Pleiss, Jürgen; Hansen, Niels, 2025, "Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"", https://doi.org/10.18419/DARUS-4483, DaRUS, V1 This dataset contains force field files in GROMACS format accompanying the mentioned publication. The topology file is given for one specific composition and can be adapted by changing the number of molecules in the '[ molecules ]' block. The numerical data of all calculated thermophysical properties is provided in the XML-based IUPAC standard for...
aminoacids.arn Feb 14, 2025 - Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations" Unknown - 2.7 KB - MD5: 21769bda9bfa2de5eafb3f6153e472d9
aminoacids.c.tdb Feb 14, 2025 - Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations" Unknown - 9 B - MD5: 47801a9c3bff40569e6d90cc744d8e3e

CSV.zip

Mar 13, 2025 - Replication data of Estes group for: "Oxo-Bridged Zr Dimers as Well-defined Models of Oxygen Vacancies on ZrO2"

ZIP Archive - 33.3 KB -

EPR_raw.zip

Mar 13, 2025 - Replication data of Estes group for: "Oxo-Bridged Zr Dimers as Well-defined Models of Oxygen Vacancies on ZrO2"

ZIP Archive - 31.0 KB -

IR.zip

Mar 13, 2025 - Replication data of Estes group for: "Oxo-Bridged Zr Dimers as Well-defined Models of Oxygen Vacancies on ZrO2"

ZIP Archive - 30.4 KB -

NMR.zip

Mar 13, 2025 - Replication data of Estes group for: "Oxo-Bridged Zr Dimers as Well-defined Models of Oxygen Vacancies on ZrO2"

ZIP Archive - 3.8 MB -

Replication Data for: Origin of Stereoselectivity in Ring Opening Metathesis Polymerization with Cationic Molybdenum Imido Alkylidene CAAC Complexes

Mar 5, 2025 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Kundu, Koushani; Buchmeiser, Michael, 2025, "Replication Data for: Origin of Stereoselectivity in Ring Opening Metathesis Polymerization with Cationic Molybdenum Imido Alkylidene CAAC Complexes", https://doi.org/10.18419/DARUS-4791, DaRUS, V1

This dataset includes the NMR (1H, 19F and 13C) of the novel catalysts used in this article, the single crystal X-ray structure of a catalyst, and the proton NMR of the polymers.

I5.zip

Mar 5, 2025 - Replication Data for: Origin of Stereoselectivity in Ring Opening Metathesis Polymerization with Cationic Molybdenum Imido Alkylidene CAAC Complexes

ZIP Archive - 1.1 MB -

NMR.zip

Mar 5, 2025 - Replication Data for: Origin of Stereoselectivity in Ring Opening Metathesis Polymerization with Cationic Molybdenum Imido Alkylidene CAAC Complexes

ZIP Archive - 30.4 MB -

Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"

Feb 14, 2025 - Institute of Thermodynamics and Thermal Process Engineering

Spera, Marcelle; Darouich, Samir; Pleiss, Jürgen; Hansen, Niels, 2025, "Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"", https://doi.org/10.18419/DARUS-4483, DaRUS, V1

This dataset contains force field files in GROMACS format accompanying the mentioned publication. The topology file is given for one specific composition and can be adapted by changing the number of molecules in the '[ molecules ]' block. The numerical data of all calculated thermophysical properties is provided in the XML-based IUPAC standard for...

aminoacids.arn

Feb 14, 2025 - Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"

Unknown - 2.7 KB -

aminoacids.c.tdb

Feb 14, 2025 - Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"

Unknown - 9 B -

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