@Mary_Ondrechen

Mary Jo Ondrechen

2 Questions 8 Answers 0 Followers

Questions related from Mary Jo Ondrechen

What is a good basis set for organosulfur compounds, including disulfides?

This is for Hartree-Fock on multiple organosulfur compounds.  We need an accurate basis set.  Any ideas?

02 February 2017 9,541 3 View

How best to calculate vibrational frequencies of a protein?

Is there a convenient program available?

01 January 2013 3,052 3 View

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