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- W2069920462 abstract "Abstract The RXeXeR′ species were investigated at the MP2, M06-2X, and B3LYP levels of theory. The stability of these species predicted by the M06-2X functional is the same as that predicted by the B3LYP functional but differs considerably from that predicted by the MP2 method. Ten RXeXeR′ species, such as C 6 H 5 XeXeF, CH 3 XeXeF, p -NH 2 –C 6 H 4 XeXeF, SiH 3 XeXeF, and CH 3 XeXeCl, were predicted stable at all the three theoretical levels. All these 10 RXeXeR′ species have a dipole moment larger than 13 D. In these molecules, R is an electron-donating group while R′ is an electron-withdrawing group." @default.
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- W2069920462 date "2011-02-01" @default.
- W2069920462 modified "2023-10-06" @default.
- W2069920462 title "Theoretical study on the RXeXeR′ species" @default.
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