What is the keyword for pH in Gaussian 09?

04 April 2014 1 9K Report

I want to check optical/electronic properties of some molecules at different pHs. Is there any keyword to set the pH manually in Gaussian 09?

Lakmal Jayarathna

Hi, I never had experience with pH in gaussian. I think there is no keyword for pH . But you can change environment around the molecule using solvent effect. It may can change pH. However, I don't know how extend it will change your optical and electronic properties of molecule.

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