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Thermodynamic measures of binding strength in pnicogen, chalcogen, halogen, and hydrogen bonds

Thermodynamic measures of binding strength in pnicogen, chalcogen, halogen, and hydrogen bonds

03/20/2018

Jared B. Moss, Upendra Adhikari, and Steve Scheiner: Thermodynamic quantities ΔEelec, ΔH, and ΔG are computed by various different levels of ab initio quantum theory. The values obtained are searched for any reversals in order of stability between differe...