ExcelAutomat 1.3: Fragment analysis based on the distortion/interaction‐activation strain model
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DOI: 10.1002/jcc.25546
Abstract: The distortion/interaction‐activation strain model (D/I‐ASM), a fragment analysis method, is applied to study the structure–reactivity relationship in reactions. The application of D/I‐ASM involves the generation of input files for points along a reaction profile, submission… read more here.
Keywords: fragment analysis; analysis; activation strain; interaction activation ... See more keywords