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

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]

Affiliated researcher

DOI 10.1063/1.4962627

Crossref 10.1063/1.4962627