Panneerselvam Murugesan

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Questions related from Panneerselvam Murugesan

I want to know, How can i calculate the mixture of solvent in gaussian 09?. How will i specified the mixture of solvents in gaussiaan inputs?

I want to know, How can i calculate the mixture of solvent in gaussian 09?. How will i specified the mixture of solvents in gaussiaan inputs? Please anyone can help.....Thanks in advance

27 January 2016 4,728 2 View

How can I calculate the second hyperpolarizability by using DFT calculations in G09?

I tried in Polar keywork (Opt freq b3lyp/6-32G(d) polar) but it shows only polarizability and hyperpolarizability i not there in the output file. In HF calculations, if i give the keyword 'polar'...

10 June 2015 4,266 5 View