Keshab Kumar Adhikary

4 Questions 3 Answers 0 Followers

Questions related from Keshab Kumar Adhikary

How to calculate the frequency factor in Gaussian09?

I am working with a metal complex in Gaussian using B3LYP/6-311+G** basis set. I need to find out the frequency gactors for frequency calculations. How can I do it? If any query available please...

02 February 2018 3,063 0 View

Can anybody make clear about this gaussian error message please?

I am working for optimization of an intermediate. This is the part of a nucleophilic substitution reaction. I received the same error message with several try. It always producing the following...

08 August 2017 217 3 View

How can I perform the following issue in Gaussian 09?

I am working on transition metal centered oganometallic complexes. Can you give me an idea that how can I apply or run the relativistic and non relativistic zero-order regular approximation...

07 July 2017 3,715 2 View

Can anybody suggest me shortly as a whole for the process of my interest or help me giving some useful links for beginning?

I just newly switched to theoretical chemistry from experimental kinetics. Presently I am interested to find out the band gaps of some simple metal complexes or organic complexes. How can I start?...

06 June 2015 4,727 2 View