The furan microsolvation blind challenge for quantum chemical methods: first steps

HIGHLIGHTS

• who: The furan microsolvation blind et al. from the University of Göttingen, Tammannstrasse, Göttingen, Germany have published the paper: The furan microsolvation blind challenge for quantum chemical methods: First steps, in the Journal: (JOURNAL) of 11/Oct/2017
• what: In Sec VIII, the authors compare the submitted theoretical fundamental OH band predictions to the experimental data and build an assignment. To further extend the analysis , the authors need to consider the optimized geometries, judging the sampling made in each entry, the different energy contributions which lead to the results in Table II and . . .
  

   

  

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