Dilip Rijal

6 Questions 2 Answers 0 Followers

Questions related from Dilip Rijal

What is the unit of molecular refractivity obtained from RDKit? Also, polarizability obtained from the opt-freq calculat in Gaussian is electronic?

What is the unit of molecular refractivity obtained from RDKit? Also, is the polarizability obtained from the opt-freq calculation in Gaussian the electronic polarizability? I would appreciate any...

27 February 2025 7,188 0 View

I am looking for NMR and IR spectra data of Jet-A and HEFA fuel? Can you please suggest me any refernce?

23 June 2024 6,515 0 View

I am wondering method to compute blended properties of hydrocarbons for fuel using either computational tool or mathematical formula. Any idea please?

I want to compute properties of fuel after altering by one hydrocarbon component.

08 March 2024 5,508 0 View

I did not get idea how to do group fragment in Roblan and gani group contribution method to estimate properties . Is there any picture or visual ?

It will be easy with picture or video to break into group. I want to break cyclic hydrocarbons into group to estimate properties.

23 August 2023 8,536 0 View

I have got no job control error in line 23 and 24 while running script.Can you please suggest me to remove this error?

It was written in linux and running in windows. I have attached error below. Thank you.

22 August 2023 8,629 3 View

How can we calculate heat of formation using gaussian ? Is sum of electronic and thermal enthalpies is HOF?

Gauss view

26 April 2023 8,136 4 View