Monsurat Motunrayo Lawal

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Questions related from Monsurat Motunrayo Lawal

How can I apply BSSE calculation to transition state?

Hello, Please, can anyone assist in describing how to organize Gaussian fragment for counterpoise (CP) optimized transition state. Or is there any protocol to be followed when estimating basis set...

04 April 2015 8,155 3 View

Which basis set is the most laudable for studying reactions involving halides?

I need a basis set coupled with DFT method that will produce a sound result to study halides(I,Br,Cl,F) with ammonia. Thanks.

11 November 2014 7,542 2 View