sai kumar Chadaram

2 Questions 1 Answers 0 Followers

Questions related from sai kumar Chadaram

Unable to perform irc calculations by freezing certain atoms. How to proceed for irc?

I am working on a reaction on catalyst. I have to freeze certain atoms of the catalyst. I am unable to perform irc calculations by freezing the atoms. I am getting error as Cannot AddRedundant...

12 December 2016 8,112 3 View

How to create catalyst surface in gaussian to generate input file along with the reactants?

I learned how to calculate activation energies without catalysts in gaussian..now I need to learn with catalysts....for which I need to create surfaces

07 July 2016 3,623 2 View