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Author Topic: bond order  (Read 2804 times)

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Offline HIMANI

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bond order
« on: March 25, 2015, 13:56 »
how can we calculate bond order?
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Offline kstokbro

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Re: bond order
« Reply #1 on: April 1, 2015, 11:39 »
You must calculate a Mulliken population object and then ask the object for the mulliken population per bond (must be done in a script)

see
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.mullikenpopulation.html
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