Chanchal Haldar

3 Questions 12 Answers 0 Followers

Questions related from Chanchal Haldar

How can I assign positive or negative charges on a specific atom in a molecule?

Is it possible to specify the charges on a definite atom in a molecule? Say sometimes a molecule contains more than one oxygen out of that one is -1 charges other one is neutral. So how can we...

01 August 2014 8,389 10 View

Can anyone help me find out the MO composition in a metal complex?

How can I find out the % of metal character and % of ligand character in a particular MO of a metal complex?I have done a few NBO calculation but It only gives the bonding composition.

28 June 2014 4,741 12 View

Using Gaussian/Gaussview how can I calculate the non-bonding interaction between two molecules?

see above

01 March 2014 7,143 7 View