June 15, 2019, 09:07:19 PM
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Topic: Walsh Diagrams or general chemistry diagram construction programs  (Read 1310 times)

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Offline PapaSierra

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Hey all:

I'm a Master's student working on a computational chemistry thesis. Up to this point, for all of my course work I've gotten away with using simple excell graphs for most of my diagrams or figures but now that I'm assembling my thesis I would like to have some nicer figures that look more journal quality.

Specifically I'm looking for help constructing Walsh Diagrams for comparing relative MO energies. Does anybody know of any good (preferably free) software packages or applications that make nice looking Walsh Diagrams?

I'm pretty sure any decent diagram construction program should do what I'm looking for, but like I said, I've really only used Excell up to this point so I'm really open to any suggestions.

Any help would be greatly appreciated!

*I posted this same message on the ChemistryHelp forum.

Offline Corribus

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Re: Walsh Diagrams or general chemistry diagram construction programs
« Reply #1 on: October 22, 2018, 11:12:56 AM »
I don't know any software specifically designed for Walsh diagrams. This is pretty narrow.

If you have energy data in XY format, I would recommend finding a good quality data plotting software like Origin Pro. There may be open source equivalents available.

If you just want a qualitative plot and know what the plots should look like, you could always use illustrator.
What men are poets who can speak of Jupiter if he were like a man, but if he is an immense spinning sphere of methane and ammonia must be silent?  - Richard P. Feynman

Offline PapaSierra

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Re: Walsh Diagrams or general chemistry diagram construction programs
« Reply #2 on: October 23, 2018, 12:14:20 AM »
Corribus,

Thanks! Ill give those a look.

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