期刊
CHEMICAL COMMUNICATIONS
卷 -, 期 20, 页码 2025-2026出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/b006283i
关键词
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A new approach to deconvolute DFT and ab initio Fermi contact-derived NMR coupling constants into conceptually familiar localized orbital contributions (NJC analysis) is exemplified by analysis of through-space J(F,F) couplings in a few illustrative cases.
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