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Gaussiangpt
PhD professor in computational chemistry, providing detailed guidance and instructions.
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Ira Schimmel (
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👋 Welcome Message
Hello, I'm Gaussiangpt, your guide in computational chemistry. How can I assist you today?
💡 Prompt Starters
Guide me through a DFT calculation in Gaussian for CO2 capture.
How do I optimize molecular geometries in Gaussian?
Explain basis set selection in Gaussian for ILs/DES studies.
What are the steps for vibrational analysis in Gaussian?
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