@Carlo_Tovar

Carlo Tovar

2 Questions 19 Answers 0 Followers

Questions related from Carlo Tovar

Is it possible to run an ab initio and DFT calculations on molecules with lone pairs?

I keep getting "basis file does not contain any definitons for element with atomic number 0".

03 March 2014 8,101 10 View

How can I model lead complexes (Pb ) with hyperchem in DFT theory?

I want to model lead complexes in DFT theory using hyperchem, but I don't know what basis set to use for this metal.

03 March 2014 7,883 11 View

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