Fitzerald Hujon

3 Questions 14 Answers 0 Followers

Questions related from Fitzerald Hujon

After getting the J coupling from the Gaussian output in hertz how to convert to cm-1 ?

I have done the calculation for J coupling and Gaussian is giving in Hz, but the experimental value exists in cm-1. How to relate these two units, I have converted from Hz to cm-1 but the value is...

29 February 2020 1,826 5 View

Wiberg Bond Index which one to take??

I have another simple question just want to know how to take out the effective bond order/wiberg bond index from the output..as i have seen so far there are three WBI values after calculating the...

06 June 2017 1,449 5 View

What is the best way for preparing a structure of metal complexes ?

As mentioned in the question I want to know which is the best for method for drawing or preparing a structure of metal complexes? As of now I have tried so many methods for preparing the structure...

24 November 2016 4,230 11 View