Bhawana Pandey

3 Questions 3 Answers 0 Followers

Questions related from Bhawana Pandey

How can we calculate pka value using gaussian09?

Can anyone help to calculate pka values using gaussian09. Thanks in advance

11 November 2015 9,885 2 View

Which basis set is good for Tellurium (Te)?

Basis set for Te for DFT calculations?

04 April 2014 2,811 2 View

Why does a gaussian error "Bad data into FinFrg" in DFT optimization for radical system appear?

I am doing DFT calculation on metal complex. I got this error: "Bad data into FinFrg. Error termination via Lnk1e in /usr/local/g09l/g09/l122.exe at Wed Nov 20 00:00:58 2013. Job cpu time: 0...

11 November 2013 5,555 3 View