Replication data of Kästner group for: "How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes - A Solid-State NMR Study"
S. Klostermann, and J. Kästner. Dataset, (2023)Related to: Marc Schnierle, Sina Klostermann, Elif Kaya, Zheng Li, Daniel Dittmann, Carolin Rieg, Deven P. Estes, Johannes Kästner, Mark R. Ringenberg, and Michael Dyballa. How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes - A Solid-State NMR Study. Inorg. Chem. 2023, 62, 19, 7283-7295. doi: 10.1021/acs.inorgchem.3c00351.
DOI: 10.18419/darus-3668
Abstract
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and solid-state NMR calculations. The folders with the data are named similar to the nomenclature in the publication. All structures are named "*.xyz" and the input-files are named "*.chm" and the output-files are named öut".
Klostermann, Sina/University of Stuttgart, Institute for Theoretical Chemistry, Kästner, Johannes/University of Stuttgart, Institute for Theoretical Chemistry
Related to: Marc Schnierle, Sina Klostermann, Elif Kaya, Zheng Li, Daniel Dittmann, Carolin Rieg, Deven P. Estes, Johannes Kästner, Mark R. Ringenberg, and Michael Dyballa. How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes - A Solid-State NMR Study. Inorg. Chem. 2023, 62, 19, 7283-7295. doi: 10.1021/acs.inorgchem.3c00351
%0 Generic
%1 klostermann2023replication
%A Klostermann, Sina
%A Kästner, Johannes
%D 2023
%K darus mult ubs_10003 ubs_10018 ubs_20003 ubs_20023 ubs_30039 ubs_30203 ubs_40065 unibibliografie
%R 10.18419/darus-3668
%T Replication data of Kästner group for: "How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes - A Solid-State NMR Study"
%X In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and solid-state NMR calculations. The folders with the data are named similar to the nomenclature in the publication. All structures are named "*.xyz" and the input-files are named "*.chm" and the output-files are named öut".
@misc{klostermann2023replication,
abstract = {In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and solid-state NMR calculations. The folders with the data are named similar to the nomenclature in the publication. All structures are named "*.xyz" and the input-files are named "*.chm" and the output-files are named "out". },
added-at = {2023-10-23T09:19:45.000+0200},
affiliation = {Klostermann, Sina/University of Stuttgart, Institute for Theoretical Chemistry, Kästner, Johannes/University of Stuttgart, Institute for Theoretical Chemistry},
author = {Klostermann, Sina and Kästner, Johannes},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2349917d5d919a56ac83d95ee46d9e855/unibiblio},
doi = {10.18419/darus-3668},
howpublished = {Dataset},
interhash = {785cfa0ed7a3e482e82f690b1eb68f5e},
intrahash = {349917d5d919a56ac83d95ee46d9e855},
keywords = {darus mult ubs_10003 ubs_10018 ubs_20003 ubs_20023 ubs_30039 ubs_30203 ubs_40065 unibibliografie},
note = {Related to: Marc Schnierle, Sina Klostermann, Elif Kaya, Zheng Li, Daniel Dittmann, Carolin Rieg, Deven P. Estes, Johannes Kästner, Mark R. Ringenberg, and Michael Dyballa. How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes - A Solid-State NMR Study. Inorg. Chem. 2023, 62, 19, 7283-7295. doi: 10.1021/acs.inorgchem.3c00351},
orcid-numbers = {Kästner, Johannes/0000-0001-6178-7669},
timestamp = {2023-10-23T09:19:45.000+0200},
title = {Replication data of Kästner group for: "How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes - A Solid-State NMR Study"},
year = 2023
}
