Tejaswi Ashok Hegde

2 Questions 5 Answers 0 Followers

Questions related from Tejaswi Ashok Hegde

Is it inappropriate to use the LANL2DZ basis set in Gaussian calculations for a molecule containing only C, H, N, O elements?

I am using # opt freq=(raman,vcd) b3lyp/lanl2dz pop=(nbo,savenbo) scf=qc geom=connectivity for geometry optimization+other calculations of an organic molecule. I am getting the results using this...

18 July 2021 4,901 3 View

What is the significance of dielectric measurements for third order nonlinear optical materials?

In recent days, many research articles are being produced with studies on dielectric behavior and the third order nonlinear optical properties of the materials. Can anyone explain what can be the...

24 September 2019 3,698 2 View