Data underlying the research of: A Well-Defined Anionic Dicopper(I) Monohydride Complex that Reacts like a Cluster
doi:10.4121/19145936.v1
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doi: 10.4121/19145936
doi: 10.4121/19145936
Datacite citation style:
Danny Broere (2022): Data underlying the research of: A Well-Defined Anionic Dicopper(I) Monohydride Complex that Reacts like a Cluster. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/19145936.v1
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Dataset
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licence
CC BY-NC 4.0
by
Danny Broere
The files contain the computational data files and Nuclear Magnetic Resonance spectra of all compounds reported within this publication. All NMR files are processed MestReNova files, which are easily interpretable and can be used for facile comparison with locally produced spectra. Raw FIDs can readily be extracted with the same software.
history
- 2022-02-11 first online, published, posted
publisher
4TU.ResearchData
format
.mnova, and .log files
associated peer-reviewed publication
A Well-Defined Anionic Dicopper(I) Monohydride Complex that Reacts like a Cluster
funding
- NWO VI.Veni.192.074
organizations
Utrecht University, Faculty of Science, Organic Chemistry & Catalysis group
DATA
files (15)
- 1,394 bytesMD5:
875f08819283f6b827f6250ccf52d3e7README.txt - 1,945,471 bytesMD5:
297286bd67cbc713f4ba7d8ec8b64bafComplex1_geom-opt.log - 1,268,399 bytesMD5:
7f6b190ecd3a817887a5e16e01178dc7Complex1_NBO.log - 1,305,353 bytesMD5:
8529ad5f1867223def002f1760424f5fComplex1_NMRdata.mnova - 477,687 bytesMD5:
c345e8dfb53538a83605c2701d0cd2e2Complex1D_NMRdata.mnova - 571,642 bytesMD5:
5c59077ff242a2c17bf0843f820a3c5fComplex2_NMRdata.mnova - 3,366,197 bytesMD5:
27ed0287b90105474e16600fc135c3d4ComplexA_freq_restart_2.log - 3,305,886 bytesMD5:
c53758e3aacba3054e80c87c795aeadcComplexA_geom-opt.log - 2,946,383 bytesMD5:
ae58e8dc29444059cc58761d4efdce03ComplexA_NBO.log - 2,738,448 bytesMD5:
8c69b6018f5f2a1eff869c6e3df174bbComplexAmono_geom-opt.log - 1,281,195 bytesMD5:
815c3a038e36a1ac46e6b177be1b1b93ComplexAmono_NBO.log - 5,749,872 bytesMD5:
13b640eff8b0514ea57f9e1ff07880b5sadighi_IPrCu2H_full_TZVP.log - 1,811,418 bytesMD5:
36670bcc80bbac6e0bb97da4cc68956asadighi_IPrCu2H_full_TZVP_NBO.log - 394,500 bytesMD5:
8c1047d0a83244fa0291476e6ea34ec2sadigi_Cu2H_NBO_xqc_NBO.log - 553,258 bytesMD5:
d223135c93d699e0206fdda31c210d38sadigi_ourmethod_NBO.log -
download all files (zip)
27,717,103 bytes unzipped
