MEP calculation


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Posted by Takao Kobayashi on February 10, 2006 at 10:26:11:

Dear Molcas developers,

I would like to know how a minimum energy path (MEP) is calculated in Molcas6.2. Please teach me a paper which explains about the methodology of the MEP calculation employed in Molcas6.2.

Takao Kobayashi


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