lijun830416 at 163.com
Fri Jan 22 11:08:12 GMT 2010
Hi Molpro users,
I read one paper, Forbidden transitions in benzene, Journal of molecular structure-Theochem, 2003,621,99, wich gives the first derivates of the transition dipole moments with respect to the normal coordinates. I want to know how to obtain the derivates using MOLPRO- the authors said that they did the calculations using MOLPRO. Anyone know the method? Any is of great help. Thank you very much.
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