Ab Initio Calculation of 81Br Nuclear Quadrupole Resonance Transition Frequencies for Brominated Aromatics (Flame Retardants)
Author:
Affiliation:
1. Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp9915026
Reference59 articles.
1. First-order one-electron properties in the integral-direct coupled cluster singles and doubles model
2. Ab Initio Calculations of Electric Field Gradients in Cadmium Complexes
3. 17O Nuclear Quadrupole Coupling in Molecular and Lattice Systems by ab initio Calculation of Electric Field Gradients
4. INTERPRETATION OF ELECTRIC FIELD GRADIENTS AT DEUTERIUM AS MEASURED BY SOLID-STATE NMR SPECTROSCOPY
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