Collaborative Computational Project for NMR Crystallography (CCP-NC) Magres Database
The Collaborative Computational Project for NMR Crystallography (CCP-NC) database of calculated solid-state NMR data from DFT codes in MAGRES format.
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This resource is part of the Collaborative Computational Project for NMR Crystallography (CCP-NC) resource theme.
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Please cite: "Collaborative Computational Project for NMR Crystallography (CCP-NC) MAGRES Database", https://www.ccpnc.ac.uk/database/, PSDI, accessed on CURRENT_DATE. Please also follow the citation guidelines associated with the assigned licensing of each record, including its MRD number, the creator(s) of the record and any associated publication.
Keywords and Subjects
SSNMR
NMR
EFG
Magnetic Shielding
Magres
DFT
CASTEP
Quantum Espresso