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[PubMed Citation] When cyanide is introduced into the body, it quickly transforms through a variety of chemical reactions, normally involving sulfur donors, to form more stable chemical species

Proc Natl Acad Sci USA 101 , 77117715, (2004)

Tumor volumes were calculated by using the formula V = ( D d 2 )/2 mm 3 , where D is the largest diameter and d is the shortest diameter

We then computed the QM-based descriptors (with both DFT and PM7 methods) on the experimental conformation, and we compared the results with those derived from the corresponding QM-optimized geometries (Supporting_TableS 4a, Supporting_TableS 4b)

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