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Author Topic: A Au-H bond?  (Read 2411 times)

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Offline huixiaodemao0712

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A Au-H bond?
« on: March 21, 2014, 13:34 »
Hi,

I am new here in ATK.When I put my molecule close to the surface of gold electrode, the hydrogen atom on a benzene ring connect to a gold one. I want to ask:

(1)Why does this happen?
(2)Will it make an effect on my calculation of transmission properties?
(3)If this is not correct, how do I clear the Au-H bond?　　
My version is 13.8.0.

Thank you !
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Offline Anders Blom

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Re: A Au-H bond?
« Reply #1 on: March 21, 2014, 15:57 »
Bonds are drawn whenever atoms are close enough to each other, but they are not used in the calculation.
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