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Author Topic: How can I set the distance between two different atoms?  (Read 2042 times)

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Offline soulsai

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How can I set the distance between two different atoms?
« on: June 3, 2010, 15:03 »
dir sir,
How can I set the distance between two different atoms? Should I consider the influence of the hybrid orbital theory or other theories between the new atom introduced in our system? And how? Is there some point? Or ATK has done it by itself?
Thanks a lot.
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Offline youngjfly

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Re: How can I set the distance between two different atoms?
« Reply #1 on: June 4, 2010, 05:47 »
the distance between two different atoms must be optimized according to the total energy.
Choose the distance when you get the smallest energy.
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