Accurate 13-C and 15-N molecular crystal chemical shielding tensors from fragment-based electronic structure theory
Author:
Funder
National Science Foundation
Publisher
Elsevier BV
Subject
Instrumentation,Nuclear and High Energy Physics,General Chemistry,Radiation
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5. Computational study of 13C NMR chemical shift anisotropy patterns in C20H10 and [C20H10]4−. Insights into their variation upon planarization and formation of concentric aromatic species in the smaller isolated-pentagon structural motif;Munoz-Castro;J. Phys. Chem.,2017
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