CCL: Formal charges
- From: "Sina Türeli"
- Subject: CCL: Formal charges
- Date: Mon, 11 Feb 2008 23:35:30 +0200
But when I select labels and then formal charges nothing is displayed on the
screen even after I run the calculations. Other charges show though (like
mulliken etc). Also there is no option for formal charges in the display
On Feb 11, 2008 7:49 PM, David Hose
anthrax_brothers ~~ hotmail.com
Sent to CCL by: "David Hose" [anthrax_brothers===hotmail.com]
you want to display the charges on the 3D structure in Spartan, try this.
From the Model menu
select Labels. Depending upon your preferences, you might see the atom
labels appear (default of
white text on a green background, so the labels may
be invisible if you have charged your background
to white). Then select
Configure... from the Model menu and select the appropriate radio button.
If you haven't already discovered this, if you click the "P"
icon in the Properties dialogue (under the
Display menu), the charge of the
atom selected will be added to the spreadsheet.
> Sent to CCL by: "Sina T
there any tool that will calculate formal charges on a molecular system and
display it? I have tried
spartan but couldnt figure how it displays formal charges though there is an
option for it in the
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