On the Choice of Optimal Methodology for Calculation of 13C and 1H NMR Isotropic Chemical Shifts in Cagelike Systems. Case Studies of Adamantane, 2-Adamantanone, and 2,4-Methano-2,4-dehydroadamantane
Author:
Affiliation:
1. Ruđer Bošković Institute, NMR Center, P.O. Box 180, 10002 Zagreb, Croatia, and Institute of Chemistry, Faculty of Natural Sciences and Mathematics, Cyril and Methodius University, P.O. Box 162, 91001 Skopje, Macedonia
Publisher
American Chemical Society (ACS)
Subject
Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci010042m
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1. Secondary and Tertiary Structural Effects on Protein NMR Chemical Shifts: an ab Initio Approach
2. Secondary structure of ?-hydroxydecanoyl thiol ester dehydrase, a 39-kDa protein, derived from H?, C?, C? and CO signal assignments and the Chemical Shift Index: Comparison with the crystal structure
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