Abishek Sai

2 Questions 2 Answers 0 Followers

Questions related from Abishek Sai

Question on calculating the static mean polarizabilities using Gaussian Output files?

I performed an opt calculation on molecule A and got A_opt. I performed a freq calculation on A_opt and got A_opt_freq I performed a polar calculation on A_opt and got A_opt_polar. The A_opt_freq...

10 December 2020 1,379 1 View

How do we choose an appropriate isovalue in ESP/MESP analysis?

I am a beginner to this particular side of the theoretical analysis of a molecule using Gaussian and GaussView. What do the isovalues mean? What physical significance do they hold? How does one...

01 December 2020 1,843 3 View