In this dataverse you can find all research data related to publications of the group generated within the context of CRC 1333.
Featured Dataverses

In order to use this feature you must have at least one published or linked dataverse.

Publish Dataverse

Are you sure you want to publish your dataverse? Once you do so it must remain published.

Publish Dataverse

This dataverse cannot be published because the dataverse it is in has not been published.

Delete Dataverse

Are you sure you want to delete your dataverse? You cannot undelete this dataverse.

Advanced Search

31 to 35 of 35 Results
Simulated_Water_Clusters.zip
Apr 14, 2021 - Publication data for: "Field evaporation and atom probe tomography of pure water tips" - data from Kästner group
ZIP Archive - 76.9 MB - MD5: db00e09ccac8097877dde290b2dfd940
NHC-Charge.tgz
Apr 13, 2021 - Publication data from the Simulation part for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES, DFT, Moessbauer and Catalysis Approach"
Gzip Archive - 28.1 MB - MD5: 20901409495178436f729f970e0ee16b
Data
Primary data from DFT calculations, compressed to a tar ball.
auxilliaries.tgz
Apr 13, 2021 - Publication data of the Simulations for: "Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst"
Gzip Archive - 4.5 MB - MD5: bbc2a5326211600b60a683375fd0c5d7
Data
Primary data of the calculations for side aspects of the paper.
Initiation_Rx.tgz
Apr 13, 2021 - Publication data of the Simulations for: "Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst"
Gzip Archive - 442.3 MB - MD5: 009f5d81d96448b181cb33d77762eb2a
Data
Primary data of the calculations for the initiation reaction. All files combined to one tar-gz archive.
reaction_cycle.tgz
Apr 13, 2021 - Publication data of the Simulations for: "Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst"
Gzip Archive - 195.5 MB - MD5: c69cd8129245fcd155bea12d6bb88cd2
Data
Primary data of the calculations for the catalytic cycle and the non-productive cycle. All files combined to one tar-gz archive.
Add Data

Log in to create a dataverse or add a dataset.

Log In
Share Dataverse

Share this dataverse on your favorite social media networks.

Link Dataverse
Reset Modifications

Are you sure you want to reset the selected metadata fields? If you do this, any customizations (hidden, required, optional) you have done will no longer appear.