The electronic structure of nitrilimine: absence of the carbenic form.
نویسندگان
چکیده
The electronic structure of nitrilimine HCNNH is shown to essentially be propargylic by CASSCF and Spin-Coupled (modern VB) calculations; in contrast to a recent claim, the carbenic resonance form is absent.
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ورودعنوان ژورنال:
- Chemical communications
دوره 9 شماره
صفحات -
تاریخ انتشار 2006