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Electronic, vibrational and environmental effects on the hyperfine coupling constants of nitroside radicals. H2NO as a case study

✍ Scribed by Vincenzo Barone


Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
417 KB
Volume
262
Category
Article
ISSN
0009-2614

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## Abstract The influence of the basis set size and computational method in the calculation of the magnetic coupling constant __J__ is evaluated using a series of cuprate superconductor parent compounds as a case study. The variational DDCI method and an iterative modification, the IDDCI method, ar