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Molekel - Message forums

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Viewing Orbitals calculated with Turbomole
Submitted by Katharina Hunger; posted on Friday, May 16, 2008
Hello everybody, I optmized the geometry of my molecule with Turbomole and now would like to have a look at the orbitals. Can anybody tell me, what to do? I can`t load the mos-file, because molekel only shows files with file-endings... Thanks, Katharina



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Viewing Orbitals calculated with Turbomole
Submitted by Katharina Hunger; posted on Friday, May 16, 2008
Hello everybody, I optmized the geometry of my molecule with Turbomole and now would like to have a look at the orbitals. Can anybody tell me, what to do? I can`t load the mos-file, because molekel only shows files with file-endings... Thanks, Katharina

 

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