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1842428777
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note
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Eq. (2) is the reverse reaction of eq. (1) for R=H. In the case of proton, this reaction energy is usually defined as heterolytic bond dissociation energy not as hydride ion affinity of proton.
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15
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17
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1842481225
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note
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QCISD(T)/6-311++G(3df,2p) calculation of t-butane requires 3Gb of main memory and about 40 Gbyte of disk storage.
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