content_image/338350.jpg
<img src='content_image/338350.jpg'>

in kJ/mol; interaction modified with respect to the correspontent 45a4 one; ‡ new interaction term (not present in 45a4); The functional form for the torsional interaction is that of Eq.10. All other interactions are the same as in the 45a4 set $^{35}$. 

