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Volumn 104, Issue 11, 2000, Pages 2238-2247

An absolute sodium cation affinity scale: Threshold collision-induced dissociation experiments and ab initio theory

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EID: 0034704866     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp991716n     Document Type: Article
Times cited : (241)

References (72)
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    • note
    • References 56 and 58 report G2 energies at 298 K (listed in hartrees) that agree with our G2 calculations within 18 μh (0.05 kj/mol). However, the 298 K enthalpies cited in ref 56 (listed in kcal/mol) are all higher by RT (which appears to be an unspecified correction for the thermal energy of the complex) compared to values derived by combining the 0 K bond enthalpies listed in Table 3 with the thermal corrections listed in Table 4. This conclusion corrects our hypothesis in ref 7 that the differences in 298 K bond enthalpies involved an incorrect conversion factor.


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