Bhargab Borah

4 Questions 6 Answers 0 Followers

Questions related from Bhargab Borah

How can I calculate metal ion affinity theoretically in organometalic complex?

I want to calculate Metal ion affinity in organometalic complex.I use Gaussian 09w software to calculate all other parameters of metal complex bio molecule.Now I am little bit confused how to...

06 June 2018 7,937 1 View

How to choose scaling factor for split basis sets in Gaussian 09w?

I have used two basis sets together.One is 6-31G+(d,p) and other one is Lanl2dz. NOw How can I choose the scaling factor in theoretical calculation?Need some suggestion to improve my work. I am...

04 April 2018 9,282 0 View

I am working with metal complex biomolecule. I want to split basis set for DFT calculation.But how to do same?

How to split basis functions in Gaussiian 09w? How do we compute molecular parameters ? I am little bit confused .

02 February 2018 9,420 5 View

What is the basic mechanism of interaction of transition metals with biomolecules?

I want to know the structure formation of metal complex biomolecule

07 July 2017 2,161 1 View