Manonmani Gunasekaran

3 Questions 10 Answers 0 Followers

Questions related from Manonmani Gunasekaran

Whether LAC3VP basis set is available in Gaussian?

Hi all, I am working on mechanistic study of organometallic complexes using Gaussian 09 program package. In most of the recent research paper they reported that LAC3Vp basis set is good for...

04 September 2023 8,661 3 View

Can any one help me to calculate rate constant in KiSThelP program?

I am new to KiSThelP software which is used to calculate the rate constant of a reaction. I have the gaussian output file for the reactant, transition state and product. Can anyone help me to...

27 February 2021 8,517 1 View

Can you help me to choose the K points for graphene quantum dot (24 carbon atoms) using VASP

I am new to VASP software. Now I am trying to calculate the band structure for graphene quantum dot (24 carbon atoms). I don't know how to choose the K points for the GQD structure. Is there any...

01 January 1970 9,347 5 View