What is different between the Materials studio and Gaussian in calculation accuracy ?

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Bojidarka B. Ivanova

Mr. Elzaki,

There should be a lack of difference in accuracy.

Baha Elzaki

which one is more accuracy ?

Majibul Babu

Perhaps, Gaussian software is more accurate than others.

You can follow this link:

http://www.biomolecular-modeling.com/Software_Quantum_Chemistry.html

Thank you so much

Subrahmanyam Sappati

I do not think one is more accurate than other. It depends upon the exchange-correlation (XC) functional and basis sets... Gaussian is mainly treated with localized basis set. However MS is more suitable for periodic systems (correct me if I am wrong).