TS optimisation - cartesian

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helloworld
TS optimisation - cartesian

Hello !

Does anyone here use TS optimisation using cartesian coordinates here ?
If so , can someone please post their script here.

Thank you,
Shreya

tomkeal
tomkeal's picture
TS optimisation - cartesian

Hi Shreya,

Please see the tutorial here: http://www.cse.scitech.ac.uk/ccg/software/chemshell/tutorial/dl-find_ts....

Best wishes,

Tom

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