Richard Betz

2 Questions 2 Answers 0 Followers

Questions related from Richard Betz

How to calculate pKa values with Gaussian (using a published example/tutorial)?

Hi everybody, I would like to calculate the theoretical pKa values of a set of simple organic molecules using Gaussian. I have located some information online, including a tutorial by McKee &...

11 March 2025 7,489 0 View

Why am I getting low frequencies in Gaussian 09?

I have got a question concerning low frequencies in Gaussian: A small organic molecule (19 atoms) only containing C, H, O (input drawn and cleaned in GaussView 4.1) is subjected to a structure...

09 September 2014 5,274 17 View