Collaborative Computational Project for NMR Crystallography (CCP-NC) Magres Database

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The Collaborative Computational Project for NMR Crystallography (CCP-NC) database of calculated solid-state NMR data from DFT codes in MAGRES format.

Creators

Sathya Sai Seetharaman & John Kane Shenton

Publisher

PSDI

Access

Open Access

Licenses

PDDL-1.0

ODC-By-1.0

CC-BY-4.0

Contact

http://www.ccpnc.ac.uk/contact

Citation

Please cite: Collaborative Computational Project for NMR Crystallography (CCP-NC) MAGRES Database. Online. Available from: https://www.ccpnc.ac.uk/database/. Physical Sciences Data Infrastructure (PSDI). [accessed YYYY-MM-DD]. 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

PSDI-pathfinder
SSNMR
NMR
EFG
Magnetic Shielding
Magres
DFT
CASTEP
Quantum Espresso