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Part 1: Document Description
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Citation |
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Title: |
Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study" |
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Identification Number: |
doi:10.18419/darus-1803 |
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Distributor: |
DaRUS |
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Date of Distribution: |
2021-05-04 |
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Version: |
1 |
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Bibliographic Citation: |
Schädel, Nicole, 2021, "Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study"", https://doi.org/10.18419/darus-1803, DaRUS, V1, UNF:6:5F+vcHTYWzP6WFxNfehFGQ== [fileUNF] |
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Citation |
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Title: |
Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study" |
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Identification Number: |
doi:10.18419/darus-1803 |
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Authoring Entity: |
Schädel, Nicole (University of Stuttgart, Institute of Organic Chemistry) |
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Grant Number: |
358283783 - SFB 1333 |
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Distributor: |
DaRUS |
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Access Authority: |
Laschat, Sabine |
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Depositor: |
Kirchhof, Manuel |
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Date of Deposit: |
2021-04-20 |
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Holdings Information: |
https://doi.org/10.18419/darus-1803 |
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Study Scope |
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Keywords: |
Chemistry, rotational barriers, carbamate-protected amine, amine functionalized hydrogel linker |
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Abstract: |
This dataset includes the calculated energy barriers of the C‐N‐C‐O bond rotation in dependency of the angle (Computational Results) as well as the NMR spectra of all investigated compounds (NMR data). |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Other Study Description Materials |
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Related Publications |
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Citation |
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Title: |
Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study N. Schädel, J. Gebhardt, M. Löffler, D. Garnier, N. Hansen, S. Laschat, J. Phys. Org. Chem. 2019, 32, e3936. |
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Identification Number: |
10.1002/poc.3936 |
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Bibliographic Citation: |
Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study N. Schädel, J. Gebhardt, M. Löffler, D. Garnier, N. Hansen, S. Laschat, J. Phys. Org. Chem. 2019, 32, e3936. |
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File Description--f61878 |
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File: Figure_2_energy+barriers+of+the+C-N-C-O+rotation.tab |
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Notes: |
UNF:6:5F+vcHTYWzP6WFxNfehFGQ== |
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List of Variables: |
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Variables |
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f61878 Location: |
Summary Statistics: StDev 104.64224768228176; Max. 176.15; Valid 72.0; Mean -1.3499999999999395; Min. -178.85 Variable Format: numeric Notes: UNF:6:9O92pQJtS9IvWAjHhYwWdQ== |
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f61878 Location: |
Summary Statistics: Mean -595.4245693744583; Min. -595.4325580794; Valid 72.0; StDev 0.007269146045166438; Max. -595.4071008744 Variable Format: numeric Notes: UNF:6:Eeduuaow6ODwVUZkcmkOgQ== |
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f61878 Location: |
Summary Statistics: Min. 0.0; Max. 66.8378662702; StDev 19.08513567243987; Mean 20.97433683559028; Valid 72.0 Variable Format: numeric Notes: UNF:6:GB4Nlf2NeryQdy23TEWtHQ== |
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Label: |
Figure_2_energy barriers of the C-N-C-O rotation.dat |
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Notes: |
text/x-fixed-field |
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Label: |
10-VS.zip |
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Notes: |
application/zip |
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Label: |
3-OH.zip |
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Notes: |
application/zip |
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Label: |
3-VS.zip |
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Notes: |
application/zip |
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Label: |
4-VS.zip |
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Notes: |
application/zip |
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Label: |
6-AAm.zip |
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Notes: |
application/zip |
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Label: |
6-NH2.zip |
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Notes: |
application/zip |
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Label: |
6-NHTFA.zip |
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Notes: |
application/zip |
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Label: |
7-AAm.zip |
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Notes: |
application/zip |
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Label: |
9-OH.zip |
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Notes: |
application/zip |
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Label: |
9-VS.zip |
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Notes: |
application/zip |