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- W2314449623 abstract "The reactions CH3+ + CH2CNa(OH) → CH2C(CH3)(OH) + Na+ and CH3- + CH2CNa(OH) → CH2C(CH3)Na + OH- have been investigated at the RHF/6-31+G* ab initio level of theory. The electron correlation contributions were evaluated at the MP2(fu)/6-31+G* level of theory at the RHF/6-31+G* optimized structures. The first reaction needs CH2CNa(OH) to change from three-member-ring 1 to nonplanar structure 4, and the carbenoid mechanism does not work. The second reaction has a planar transition state similar to the metal-stabilized carbenium 2, and this transition state indicates that the “metal-assisted ionization” mechanism is likely to happen." @default.
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- W2314449623 date "1999-04-16" @default.
- W2314449623 modified "2023-09-26" @default.
- W2314449623 title "Ab Initio Study of the Reaction Mechanism of CH3+ and CH3- with CH2CNa(OH)" @default.
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- W2314449623 doi "https://doi.org/10.1021/jp983782f" @default.
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