Thomas Patko
tpatko@gmail.com
Do you know if there some method similar to the "growing string method" (see link below) either available in Firefly (undocumented) or currently under development?
http://www.cchem.berkeley.edu/akcgrp/arups%20papers/96.pdfhttp://www.cchem.berkeley.edu/akcgrp/arups%20papers/96.pdf
Obviously this is a rather costly procedure but it may be useful in cases where chemical intuition and the convention wisdom fails (i.e. the accepted mechanism is actually incorrect or complete).
Cheers,
Thomas
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