Mehdi Sattari

2 Questions 7 Answers 0 Followers

Questions related from Mehdi Sattari

Is there software available to calculate the 1st and 2nd order functional groups in a molecule?

Hi. There is little software that can calculate molecular descriptors and zero order functional groups; but I didn't find any program for calculating the number of first and second order...

08 August 2014 6,823 3 View

How to optimize the geometry of ionic liquids to use by COSMO-RS?

I'm wondering how to do geometry optimization for ionic liquids. Should it be done using the whole ionic liquid molecule or using cation and anion separately. In addition which software is used?...

04 April 2014 5,491 10 View