Shiv Pal

2 Questions 1 Answers 0 Followers

Questions related from Shiv Pal

Why , there is two Lp* on Ge atom while it have only one empty p orbital ?

I did a NBO calculation on molecule having Ge and N atom . I want to study donation of lone pair of N to empty orbital of Ge. Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis...

25 February 2016 6,269 0 View

Can anyone help me to understand the LUMO of Si(II)-AgOTf complex?

I have Si(II)-silver complex. We did DFT calculation to optimize the structure by using two different basis sets. In one case [6-311(d,p)] LUMO is localized on Phenyl ring attached to Si(II) and...

13 October 2015 8,710 3 View