Maheshwaran Duraiyarasu

2 Questions 11 Answers 0 Followers

Questions related from Maheshwaran Duraiyarasu

Can anyone give me suggestions to sortout ORCA calculation error termination?

I have tried to optimize Fe(III) high spin complex in ORCA program, but the calculation terminating every time with error. I could not able to find the solution from searches. can anybody suggest...

11 August 2018 8,133 19 View

I need step wise procedure to use Easyspin tool in Matlab to analyse/simulate EPR parameters for metal complexes. Can anybody help me?

I want to analyse/simulate the EPR parameters of transition metal complexes such as Fe3+/2+, Cu2+ etc., by Easyspin tool in Matlab. But I am new to Matlab as well as easyspin. Can anyone help in...

21 November 2016 2,110 7 View