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Topic: QM Techniques  (Read 1655 times)

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Offline dscot

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QM Techniques
« on: April 21, 2013, 05:02:56 AM »
Hi all,

1) I don't really understand dihedrals, there is supposed to a dihedral with an angle of 60 degrees here http://screencast.com/t/CpUzz6PiQd between atoms 5,3,2 and atoms 1,2,3 I know its the angle where the two planes intersect but I still can't make sense of it?

2) My second question is recording what technique would be best suited for the the minimisation of an organic macrocycle (zeroth, first or second order). I would assume that the answer is second order, as it is the quickest to converge and an organic macroculcle is relatively small?

Thank you!
« Last Edit: April 21, 2013, 07:48:01 AM by Arkcon »

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