Vibronic effects on the hyperfine splitt
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Maurizio Guerra; Fernando Bernardi; Gian Franco Pedulli
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Article
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1977
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Elsevier Science
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English
β 371 KB
TheaN and a;H hyperfine splitting constants of pyridinyl are poorly reproduced by INDO molecular orbital calculations if assuming a planar geometry for the radical. A much better agreement with experiment has been found by evaluating: these constants from vibronic ~avef~n~tions even though at a ~mjq