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- W2321892506 abstract "Heats of formation for CnFm, CnFm+, CHFm, and CHFm+ compounds are computed at the G3MP2 level. Calibration calculations are presented for C2F2, C2F, CHF, and CHF2. The results of these calibration calculations, in conjunction with the results of previous high-level calculations, show that the G3MP2 approach is accurate to ±2 kcal/mol for these systems. The trends in bond energies are discussed." @default.
- W2321892506 created "2016-06-24" @default.
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- W2321892506 date "2000-04-14" @default.
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- W2321892506 title "Heats of Formation for C<i><sub>n</sub></i>F<i><sub>m</sub></i>, C<i><sub>n</sub></i>F<i><sub>m</sub></i><sup>+</sup>, CHF<i><sub>m</sub></i>, and CHF<i><sub>m</sub></i><sup>+</sup>" @default.
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- W2321892506 doi "https://doi.org/10.1021/jp9942771" @default.
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