2026-06-03T14:01:15Zhttps://www.radar-service.eu/oai/OAIHandler10.22000/17432024-01-24T17:02:48Zradar4chem
10.22000/1743
Maste, Stefan
Stefan
Maste
0009-0000-0132-2106
TU Dortmund University
Electronic supporting information to Maste et al. - The Accuracy Limit of Chemical Shift Predictions for Species in Aqueous Solution
Cluster of Excellence RESOLV
2023
2024
Chemistry
NMR
solvation
AIMD
EC-RISM
quantum chemistry
Snapshot and optimized structures with corresponding shielding constants, example inputs
Open Access
Creative Commons Zero v1.0 Universal
-
Sharma, Bikramjit
0000-0002-8844-1796
Ruhr University Bochum
Pongratz, Tim
0009-0008-8217-3285
TU Dortmund University
Marx, Dominik
Ruhr University Bochum
Kast, Stefan M.
0000-0001-7346-7064
TU Dortmund University
10.1039/D3CP05471C
10.17877/RESOLV-2024-lrgkievk
Deutsche Forschungsgemeinschaft
https://ror.org/018mejw64
EXC-2033 – Projektnummer 390677874
Deutsche Forschungsgemeinschaft
https://ror.org/018mejw64
FOR 1979
application/x-tar