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Name Paramagnetic_lanthanide_compounds
Extended ID Paramagnetic_lanthanide_compounds_AlnamiKragskowStaabSkeltonChilton__DS_cm3cr5kgqomw_0
Description This dataset is composed of fully-deuterated Gd(III) analogue d-[GdL] in a variety of solvent materials, including MeOH, D2O and d6-DMSO.
Authors Barak Alnami
Jon G. C. Kragskow
Jakob K. Staab
Jonathan M. Skelton
Nicholas F. Chilton
DOI 10.60732/cd8c58b7

Cite as: Alnami, B., Kragskow, J. G. C., Staab, J. K., Skelton, J. M., and Chilton, N. F. "Paramagnetic lanthanide compounds." ColabFit, 2024.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements C (14.56%)
Gd (0.15%)
H (62.42%)
N (0.88%)
O (19.51%)
S (2.48%)
Number of Data Objects 41,748
Number of Configurations 41,748
Number of Atoms 28,419,876
Configuration Sets by Name Paramagnetic_lanthanide_compounds_MeOH — Configurations of d-GdL solvated in MeOH from Paramagnetic_lanthanide_compounds dataset
Paramagnetic_lanthanide_compounds_DMSO — Configurations of d-GdL solvated in DMSO from Paramagnetic_lanthanide_compounds dataset
Paramagnetic_lanthanide_compounds_D2O — Configurations of d-GdL solvated in D2O from Paramagnetic_lanthanide_compounds dataset
Configuration Sets by ID CS_2rhiuypsdqk9_0
Data Objects Too many to display
ColabFit ID DS_cm3cr5kgqomw_0
Files colabfitspec.json

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