Posted by tiantian on December 21, 2005 at 12:02:55:
In Reply to: Re: question posted by Roland Lindh on December 20, 2005 at 16:12:35:
But I usually saw that "the located MSX-1B1/1A2 is a conical intersection......." or " the conical intersection 1A' and 3A''surfaces is located around ......." and so on in the literature. And in GAUSSIAN 03, they use the keyword "opt=conical" to calculate the conical intersection, but they never limite the symmetry and spin for the states,and why?