Roshan Pudasaini

3 Questions 1 Answers 0 Followers

Questions related from Roshan Pudasaini

How to analyse Anisotropic hyperfine parameters?

I calculated anisotropic hyperfine parameter using gaussian 9 and got values as follows: For example: Atoms MegaHertz C(13) Baa -6.995 Bbb...

06 November 2023 8,332 0 View

How to interpret hyperfine interaction data from NWChem?

I used NWChem to calculate hyperfine coupling constant as follows: ---------------------- Hyperfine Interactions ---------------------- Total Spin Density (Fermi...

08 July 2023 3,355 1 View

How to interpret Mulliken population analysis from output file?

I calculated Mulliken population analysis of benzene and visualized 'log.out" file in Chemcraft. From line number 1173 from "log.out" file we can see Total Density - Mulliken Population Analysis...

25 June 2023 5,760 0 View