Arif Ahmed

2 Questions 1 Answers 0 Followers

Questions related from Arif Ahmed

How to calculate proton affinity and gas phase basicity of aromatic compounds like hydroquinone (C6H6O2)?

I’m using Gaussian 09. I want to calculate proton affinity, gas phase basicity of aromatic compounds like hydroquinone (C6H6O2). I've attached here the log file for neutral and protonated...

11 November 2017 444 0 View

Is it possible to calculate volume of electron density (quantitatively) from electron density mapping by Avogadro software?

I optimized a compound using Gaussian 09 and create .fchk file for electron density mapping. And then used Avogadro to make electron density mapping. For an example; pyridine has relatively deep...

09 September 2016 9,701 1 View