Sohail Hamid Dar

4 Questions 11 Answers 0 Followers

Questions related from Sohail Hamid Dar

Is Gaussian 16 capable of doing scalar relativity correction, and if so, to what extent can it be relied on?

I need to optimize close shell transition metal complexes comprising Pd and Pt. Because they are the second and third row elements, we can expect spin orbit coupling, which requires relativity...

07 February 2023 6,362 0 View

Lewis and Non Lewis Energies in NBO?

How are the Lewis energies and Non-Lewis Energies generated in NBO- 7.0? Do they have any resemblance with the bond strength? Please comment

21 September 2021 7,510 3 View

How can I fix the error in CCSD(T) calculations using Gaussian 09 ?

Hello friends, I am doing the CCSD(T) calculation with the higher basis set aug-cc-pVTZ while submitting the job the popup message comes as:...

22 February 2018 1,466 3 View

Hello everybody, I want to do the Bond Dissociation Energy calculation with the Gaussian-09. Help me out in choosing the level of theory and function?

Hello everybody, I want to do the Bond Dissociation Energy calculation with the Gaussian-09. Help me out in choosing the level of theory and function

19 February 2018 1,243 6 View