Large-scale calculations of gas phase thermochemistry: Enthalpy of formation, standard entropy, and heat capacity

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Ghahremanpour MM, van Maaren PJ, Ditz JC, Lindh R, van der Spoel D

The Journal of Chemical Physics 145 (11) 114305 [2016-09-21; online 2016-09-21]

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DOI 10.1063/1.4962627

Crossref 10.1063/1.4962627