科研之友
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摘要
The inverse trans influence (ITI) is investigated in uranyl, UO22+, and its isoelectronic imido (U(NH)(2)(2+) and carbene (U(CH2)(2)(2+) analogues at the density functional and complete active space self consistent field levels of theory. The quantum theory of atoms in molecules is employed to quantify, for the first time, the effect of the ITI on covalent bond character and its relationship to bond lengths and complex stability.
- 出版日期2018-9-11
