Jacob Sanders edited sectionComputational.tex  almost 10 years ago

Commit id: c1bdb84f6987781a326b1f731f0a807ec8fd34e5

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All quantum mechanical Hessian calculations were performed with   QChem~\cite{Shao_2006} version XXX at the DFT theory level using the XXX functional discretized using the XXX basis set. Molecular mechanics calculations were  performed using freely-available open-source Tinker~code using the  {\color{red}XX} force field.\begin{acknowledgments}  We acknowledge D. Rappoport,   DTRA  Nvidia CCOE  \end{acknowledgments}