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84906361439
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note
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Using the B3PW91/LANL2DZ(2f, d) level of theory, spin density on gold in bis(maleonitriledithiolato)-gold(II) dianion is calculated to be 18% by a Mulliken population analysis and 13% by a natural bond orbital analysis. Schlupp and Maki 11 determine a value of 15% from an analysis of EPR spectra of magnetically dilute samples.
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56
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84906375738
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note
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