How can model the Polypropylene (C2H6) mix with the orthophosphoric acid (H2PO4) using Gaussian 09? - FAQS.TIPS

Haider M. Umran @Haider-Umran

11 July 2019 0 4K Report

Hello all,

How can model the Polypropylene (C2H6) mix with the orthophosphoric acid (H2PO4) using Gaussian 09?

I want to calculate the effect of orthophosphoric acid on the polypropylene film in terms of band energy and ESP.

Thanks advancing

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