Rupali G. Mane

3 Questions 6 Answers 0 Followers

Questions related from Rupali G. Mane

How can I partially optimize the molecular geometry by freezing atoms coordinates using GAMESS?

The ifreez/iactat option in GAMESS doesn't working when I performed runtype=optimize. The structure is getting optimized to E_minimum with all atoms.

09 September 2014 8,954 6 View

Is it possible to measure the work function of a metal surface with adsorbed gas molecules using STM (scanning tunneling microscopy)?

We are looking for methods to measure the work function of metal surfaces with polyatomic gas molecules.

12 December 2013 946 4 View

Between SF6 and CF4 molecules - which one breaks more easily on metal or nonmetal surface?

Which one is gets fragmented more easily on surface at heated surface? Also I want to know is there any energy transfer to surface by breaking the SF6 and CF4 bonds occurs and to what extent?

12 December 2013 5,006 2 View