Alternate identifier:
-
Related identifier:
(Is Cited By) 10.1039/D3CP05471C - DOI
(Is Identical To) 10.17877/RESOLV-2024-lrgkievk - DOI
Contributors:
(Producer)
(Project Member)
(Project Leader)
Marx, Dominik [Ruhr University Bochum]

(Project Leader)
Title:
Electronic supporting information to Maste et al. - The Accuracy Limit of Chemical Shift Predictions for Species in Aqueous Solution
Additional titles:
-
Description:
-
Keywords:
NMR
solvation
AIMD
EC-RISM
quantum chemistry
Related information:
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Language:
-
Publishers:
Cluster of Excellence RESOLV
Production year:
Subject areas:
Chemistry
Resource type:
(Dataset) Snapshot and optimized structures with corresponding shielding constants, example inputs
Data source:
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Software used:
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Data processing:
-
Publication year:
Rights holders:
-
Funding:
Deutsche Forschungsgemeinschaft (EXC-2033 – Projektnummer 390677874)
Deutsche Forschungsgemeinschaft (FOR 1979)
Name Storage Metadata Upload Action
Status:
Published
Uploaded by:
smkast
Created on:
Archiving date:
2024-01-18
Archive size:
110.8 MB
Archive creator:
smkast
Archive checksum:
8cd6abd3a3a44ccd80d62ec617072b57 (MD5)
Embargo period:
-